Cycloheptatriene
- Cycloheptatriene
- Cyclohepta-1,3,5-triene
- 544-25-2
- 1,3,5-CYCLOHEPTATRIENE
- Tropilidene
- Create:2005-03-26
- Modify:2025-01-18
- Cycloheptatriene
- Cyclohepta-1,3,5-triene
- 544-25-2
- 1,3,5-CYCLOHEPTATRIENE
- Tropilidene
- Tropilidine
- Cycloheptatrien
- Zykloheptatrien
- Tropyliden
- 1H-[7]annulene
- Tropilidin
- EINECS 208-866-3
- UN2603
- P58Q106NTF
- UNII-P58Q106NTF
- DTXSID5073909
- CHEBI:37519
- 1H-(7)annulene
- UN 2603
- Tropiliden
- Cycloheptatriene; Tropiliden; Tropilidene
- 1,3,5Cycloheptatriene
- Cycloheptatriene, 95%
- DTXCID7041708
- DTXSID50189016
- BBL027452
- MFCD00004146
- STL373480
- AKOS000121113
- (1Z,3Z,5Z)-cyclohepta-1,3,5-triene
- DB-052570
- NS00022348
- D89271
- Cycloheptatriene [UN2603] [Flammable liquid]
- A830174
- Q421640
- W-109559
- Coriolis coupling
- Schoenflies notation
- Boiling point
- Centrifugal distortion
- Chemical bond
- Crystal structure
- Density
- Diamagnetic susceptibility
- Electric dipole moment
- Equilibrium structure
- Fluorescence
- Formula unit
- Fusion temperature
- Heat of sublimation
- Internuclear distance
- Kinetic properties
- Magnetic susceptibility
- Melting temperature
- Molecular dipole moment
- Molecular structure
- Optical coefficient
- Phase transition
- Point group
- Refractive index
- Rotation-vibration spectrum
- Rotational excitation cross section
- Space group
- Thermal expansion coefficient
- Transition enthalpy
- Unit cell
- Unit cell parameter
- Vapor pressure
- Vibrational mode frequency
91 99.99
92 49.44
65 20
39 19.16
63 8.94
91 999
92 494
65 200
39 192
63 89
H225 (97.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]
H304 (93.5%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
H311 (97.8%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P331, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.
Flam. Liq. 2 (97.8%)
Acute Tox. 3 (97.8%)
Asp. Tox. 1 (93.5%)
Acute Tox. 3 (97.8%)
Skin Irrit. 2 (97.8%)
Eye Irrit. 2 (97.8%)
STOT SE 3 (95.7%)
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
TOXIC; may be fatal if inhaled, ingested or absorbed through skin. Inhalation or contact with some of these materials will irritate or burn skin and eyes. Methyl chloroacetate (UN2295) is an eye irritant/lachrymator (causes flow of tears). Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024)
· TOXIC; may be fatal if inhaled, ingested or absorbed through skin.
· Inhalation or contact with some of these materials will irritate or burn skin and eyes.
· Methyl chloroacetate (UN2295) is an eye irritant/lachrymator (causes flow of tears).
· Fire will produce irritating, corrosive and/or toxic gases.
· Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas.
· Runoff from fire control or dilution water may cause environmental contamination.
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. CAUTION: Methanol (UN1230) will burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.) Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion and poison hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. (ERG, 2024)
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
CAUTION: Methanol (UN1230) will burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.)
· Vapors may form explosive mixtures with air.
· Vapors may travel to source of ignition and flash back.
· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.).
· Vapor explosion and poison hazard indoors, outdoors or in sewers.
· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.
· Runoff to sewer may create fire or explosion hazard.
· Containers may explode when heated.
· Many liquids will float on water.
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Refer to the "General First Aid" section. Specific First Aid: Wash skin with soap and water. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. (ERG, 2024)
General First Aid:
· Call 911 or emergency medical service.
· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.
· Move victim to fresh air if it can be done safely.
· Administer oxygen if breathing is difficult.
· If victim is not breathing:
-- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingestedor inhaled the substance.
-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).
-- If no pulse detected or no respiratory medical device available, provide continuouscompressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.
· Remove and isolate contaminated clothing and shoes.
· For minor skin contact, avoid spreading material on unaffected skin.
· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.
· For severe burns, immediate medical attention is required.
· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.
· Keep victim calm and warm.
· Keep victim under observation.
· For further assistance, contact your local Poison Control Center.
· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.
Specific First Aid:
· Wash skin with soap and water.
· In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin.
In Canada, an Emergency Response Assistance Plan (ERAP) may be required for this product. Please consult the shipping paper and/or the "ERAP" section.
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. CAUTION: Methanol (UN1230) will burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.).
SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam.
LARGE FIRE: Water spray, fog or alcohol-resistant foam. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal. Avoid aiming straight or solid streams directly onto the product.
FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· Keep unauthorized personnel away.
· Stay upwind, uphill and/or upstream.
· Ventilate closed spaces before entering, but only if properly trained and equipped.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
· All equipment used when handling the product must be grounded.
· Do not touch or walk through spilled material.
· Stop leak if you can do it without risk.
· Prevent entry into waterways, sewers, basements or confined areas.
· A vapor-suppressing foam may be used to reduce vapors.
Small Spill
· Absorb with earth, sand or other non-combustible material and transfer to containers for later disposal.
· Use clean, non-sparking tools to collect absorbed material.
Large Spill
· Dike far ahead of liquid spill for later disposal.
· Water spray may reduce vapor, but may not prevent ignition in closed spaces.
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.
SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.
FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
Immediate precautionary measure
· Isolate spill or leak area for at least 50 meters (150 feet) in all directions.
Spill
· For highlighted materials: see Table 1 - Initial Isolation and Protective Action Distances.
· For non-highlighted materials: increase the immediate precautionary measure distance, in the downwind direction, as necessary.
Fire
· If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors.
SMALL SPILL: Absorb with earth, sand or other non-combustible material and transfer to containers for later disposal. Use clean, non-sparking tools to collect absorbed material.
LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)
· Wear positive pressure self-contained breathing apparatus (SCBA).
· Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE.
· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.
CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
CAUTION: Methanol (UN1230) will burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.)
Small Fire
· Dry chemical, CO2, water spray or alcohol-resistant foam.
Large Fire
· Water spray, fog or alcohol-resistant foam.
· If it can be done safely, move undamaged containers away from the area around the fire.
· Dike runoff from fire control for later disposal.
· Avoid aiming straight or solid streams directly onto the product.
Fire Involving Tanks, Rail Tank Cars or Highway Tanks
· Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles.
· Cool containers with flooding quantities of water until well after fire is out.
· Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank.
· ALWAYS stay away from tanks in direct contact with flames.
· For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn.
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE. Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. (ERG, 2024)
Hydrocarbons, Aliphatic Unsaturated
Conjugated Dienes
Polymerizable Compounds
Highly Flammable
Polymerizable
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=CHVJITGCYZJHLR-UHFFFAOYSA-N
- Australian Industrial Chemicals Introduction Scheme (AICIS)1,3,5-Cycloheptatrienehttps://services.industrialchemicals.gov.au/search-inventory/
- CAMEO ChemicalsLICENSECAMEO Chemicals and all other CAMEO products are available at no charge to those organizations and individuals (recipients) responsible for the safe handling of chemicals. However, some of the chemical data itself is subject to the copyright restrictions of the companies or organizations that provided the data.https://cameochemicals.noaa.gov/help/reference/terms_and_conditions.htm?d_f=falseCYCLOHEPTATRIENEhttps://cameochemicals.noaa.gov/chemical/3041CAMEO Chemical Reactivity Classificationhttps://cameochemicals.noaa.gov/browse/react
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Cycloheptatrienehttps://commonchemistry.cas.org/detail?cas_rn=544-25-2
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox1,3,5-Cycloheptatrienehttps://comptox.epa.gov/dashboard/DTXSID5073909Cycloheptatrienyl radicalhttps://comptox.epa.gov/dashboard/DTXSID50189016CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-noticeCycloheptatriene (EC: 208-866-3)https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/7969
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking1,3,5-CYCLOHEPTATRIENEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/P58Q106NTF
- New Zealand Environmental Protection Authority (EPA)LICENSEThis work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.https://www.epa.govt.nz/about-this-site/general-copyright-statement/
- NJDOH RTK Hazardous Substance Listcycloheptatrienehttp://nj.gov/health/eoh/rtkweb/documents/fs/0563.pdf
- Emergency Response Guidebook (ERG)Cycloheptatrienehttps://pubchem.ncbi.nlm.nih.gov/erg/
- Haz-Map, Information on Hazardous Chemicals and Occupational DiseasesLICENSECopyright (c) 2022 Haz-Map(R). All rights reserved. Unless otherwise indicated, all materials from Haz-Map are copyrighted by Haz-Map(R). No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.https://haz-map.com/AboutCycloheptatrienehttps://haz-map.com/Agents/20496
- ChEBICyclohepta-1,3,5-trienehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37519
- Crystallography Open Database (COD)LICENSEAll data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.https://creativecommons.org/publicdomain/zero/1.0/
- Japan Chemical Substance Dictionary (Nikkaji)
- MassBank Europe
- MassBank of North America (MoNA)LICENSEThe content of the MoNA database is licensed under CC BY 4.0.https://mona.fiehnlab.ucdavis.edu/documentation/license
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law1,3,5-Cycloheptatrienehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBase1,3,5-CYCLOHEPTATRIENEhttps://spectrabase.com/spectrum/FhkknYiW9tpCycloheptatrienehttps://spectrabase.com/spectrum/AAiPSVpAKLw1,3,5-CYCLOHEPTATRIENEhttps://spectrabase.com/spectrum/LkKlkWdihGS1,3,5-CYCLOHEPTATRIENEhttps://spectrabase.com/spectrum/HsnK5TijTOH1,3,5-cycloheptatrienehttps://spectrabase.com/spectrum/9grjhVmQjIUCycloheptatrienehttps://spectrabase.com/spectrum/7Nj19KHYSGT1,3,5-CYCLOHEPTATRIENEhttps://spectrabase.com/spectrum/GDN0NpfHPK5Cycloheptatrienehttps://spectrabase.com/spectrum/9pDdYjwiIf3CYCLOHEPTATRIENE, 1,3,5-,https://spectrabase.com/spectrum/8ljn2gTIu1Cycloheptatrienehttps://spectrabase.com/spectrum/K5dguKgnjAY1,3,5-Cycloheptatrienehttps://spectrabase.com/spectrum/3jFBi33zrpu1,3,5-Cycloheptatrienehttps://spectrabase.com/spectrum/FexM14zEYq5
- Metabolomics WorkbenchCyclohepta-1,3,5-trienehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55608
- Nature Chemistry
- NMRShiftDB
- Springer Nature
- SpringerMaterials
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidatacyclohepta-1,3,5-trienehttps://www.wikidata.org/wiki/Q421640
- WikipediaPhellandrenehttps://en.wikipedia.org/wiki/PhellandreneCycloheptatrienehttps://en.wikipedia.org/wiki/Cycloheptatriene
- Wiley
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmltropilidinehttps://www.ncbi.nlm.nih.gov/mesh/67011378
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403032265https://pubchem.ncbi.nlm.nih.gov/substance/403032265