2,5-Cyclohexadiene-1,4-diimine, N,N'-dichloro-
PubChem CID
69479
Structure
Molecular Formula
Synonyms
- N,N'-Dichloro-p-benzoquinonediimide
- 2,5-Cyclohexadiene-1,4-diimine, N,N'-dichloro-
- 637-70-7
- BRN 1447856
- EINECS 211-299-4
Molecular Weight
175.01 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-08-08
- Modify:2025-01-18
Chemical Structure Depiction
1-N,4-N-dichlorocyclohexa-2,5-diene-1,4-diimine
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C6H4Cl2N2/c7-9-5-1-2-6(10-8)4-3-5/h1-4H
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
NHMMHCXTHYEVLE-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1=CC(=NCl)C=CC1=NCl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C6H4Cl2N2
Computed by PubChem 2.2 (PubChem release 2024.11.20)
637-70-7
- N,N'-Dichloro-p-benzoquinonediimide
- 2,5-Cyclohexadiene-1,4-diimine, N,N'-dichloro-
- 637-70-7
- BRN 1447856
- EINECS 211-299-4
- N,N'-Dichloro-2,5-cyclohexadiene-1,4-diimine
- N,N'-dichloro-1,4-benzoquinone diimine
- N,N'-Dichloro-2,5-cyclohexadien-1,4-diimide
- 3-07-00-03367 (Beilstein Handbook Reference)
- 2,5-Cyclohexadiene-1,4-diimine, N1,N4-dichloro-
- SCHEMBL3275002
- DTXSID1060926
- NHMMHCXTHYEVLE-UHFFFAOYSA-N
- NS00035558
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
175.01 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
2.5
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
173.9751535 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
173.9751535 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
24.7 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
10
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
196
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
EPA TSCA Commercial Activity Status
2,5-Cyclohexadiene-1,4-diimine, N1,N4-dichloro-: INACTIVE
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=NHMMHCXTHYEVLE-UHFFFAOYSA-N
- ChemIDplus2,5-Cyclohexadiene-1,4-diimine, N1,N4-dichloro-https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000637707ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA Chemicals under the TSCA2,5-Cyclohexadiene-1,4-diimine, N1,N4-dichloro-https://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- EPA DSSTox2,5-Cyclohexadiene-1,4-diimine, N,N'-dichloro-https://comptox.epa.gov/dashboard/DTXSID1060926CompTox 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-noticeN,N'-dichloro-p-benzoquinonediimidehttps://echa.europa.eu/substance-information/-/substanceinfo/100.010.273
- Japan Chemical Substance Dictionary (Nikkaji)
- Springer Nature
- 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/
- PubChem
- 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 397022795https://pubchem.ncbi.nlm.nih.gov/substance/397022795
CONTENTS