An official website of the United States government

Calcium nitrite

PubChem CID
159695
Structure
Calcium nitrite_small.png
Molecular Formula
Synonyms
  • Calcium nitrite
  • 13780-06-8
  • calcium dinitrite
  • Nitrous acid, calcium salt
  • calcium;dinitrite
Molecular Weight
132.09 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2005-08-08
  • Modify:
    2025-01-11

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Calcium nitrite.png

1.2 3D Status

Conformer generation is disallowed since MMFF94s unsupported element, mixture or salt

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

calcium;dinitrite
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

2.1.2 InChI

InChI=1S/Ca.2HNO2/c;2*2-1-3/h;2*(H,2,3)/q+2;;/p-2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.3 InChIKey

AONJRPXZCVADKF-UHFFFAOYSA-L
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.4 SMILES

N(=O)[O-].N(=O)[O-].[Ca+2]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

CaN2O4
Computed by PubChem 2.2 (PubChem release 2021.10.14)

2.3 Other Identifiers

2.3.1 CAS

13780-06-8

2.3.2 Deprecated CAS

182893-14-7

2.3.3 European Community (EC) Number

2.3.4 UNII

2.3.5 DSSTox Substance ID

2.3.6 Nikkaji Number

2.3.7 Wikidata

2.3.8 Wikipedia

2.4 Synonyms

2.4.1 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
132.09 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
131.9483973 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
131.9483973 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
105 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
7
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
7.5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
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
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)

3.2 Experimental Properties

3.2.1 Physical Description

Dry Powder; Liquid

5 Chemical Vendors

6 Drug and Medication Information

6.1 FDA National Drug Code Directory

6.2 Drug Labels

Homeopathic product and label

7 Use and Manufacturing

7.1 Uses

EPA CPDat Chemical and Product Categories
The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products, Scientific Data, volume 5, Article number: 180125 (2018), DOI:10.1038/sdata.2018.125

7.1.1 Industry Uses

  • Corrosion inhibitors and anti-scaling agents
  • Not Known or Reasonably Ascertainable
  • Agricultural chemicals (non-pesticidal)
  • Processing aids, not otherwise listed
  • Corrosion inhibitor
  • Process regulators

7.1.2 Consumer Uses

  • Corrosion inhibitors and anti-scaling agents
  • Not Known or Reasonably Ascertainable
  • Corrosion inhibitor
  • Process regulators
  • Binder
  • Filler
  • Agricultural chemicals (non-pesticidal)

7.2 U.S. Production

Aggregated Product Volume

2019: 10,000,000 - <50,000,000 lb

2018: 10,000,000 - <50,000,000 lb

2017: 10,000,000 - <50,000,000 lb

2016: 10,000,000 - <50,000,000 lb

7.3 General Manufacturing Information

Industry Processing Sectors
  • Construction
  • Non-metallic Mineral Product Manufacturing (includes clay, glass, cement, concrete, lime, gypsum, and other non-metallic mineral product manufacturing)
  • Not Known or Reasonably Ascertainable
  • Asphalt Paving, Roofing, and Coating Materials Manufacturing
  • All Other Basic Inorganic Chemical Manufacturing
EPA TSCA Commercial Activity Status
Nitrous acid, calcium salt (2:1): ACTIVE

8 Safety and Hazards

8.1 Hazards Identification

8.1.1 GHS Classification

1 of 2
View All
Note
Pictograms displayed are for 79% (218 of 276) of reports that indicate hazard statements. This chemical does not meet GHS hazard criteria for 21% (58 of 276) of reports.
Pictogram(s)
Oxidizer
Corrosive
Acute Toxic
Irritant
Health Hazard
Environmental Hazard
Signal
Danger
GHS Hazard Statements

H272 (13.8%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]

H301 (61.2%): Toxic if swallowed [Danger Acute toxicity, oral]

H302 (17%): Harmful if swallowed [Warning Acute toxicity, oral]

H318 (33%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

H319 (29%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H340 (15.9%): May cause genetic defects [Danger Germ cell mutagenicity]

H361 (15.9%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

H371 (23.6%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]

H372 (15.9%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]

H400 (40.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

H410 (17%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statement Codes

P203, P210, P220, P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P305+P351+P338, P305+P354+P338, P308+P316, P317, P318, P319, P321, P330, P337+P317, P370+P378, P391, P405, and P501

(The corresponding statement to each P-code can be found at the GHS Classification page.)

ECHA C&L Notifications Summary

Aggregated GHS information provided per 276 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria per 58 of 276 reports by companies. For more detailed information, please visit ECHA C&L website.

There are 7 notifications provided by 218 of 276 reports by companies with hazard statement code(s).

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.

8.1.2 Hazard Classes and Categories

Ox. Sol. 2 (13.8%)

Acute Tox. 2 (61.2%)

Acute Tox. 4 (17%)

Eye Dam. 1 (33%)

Eye Irrit. 2 (29%)

Muta. 1B (15.9%)

Repr. 2 (15.9%)

STOT SE 2 (23.6%)

STOT RE 1 (15.9%)

Aquatic Acute 1 (40.6%)

Aquatic Chronic 1 (17%)

Specific target organ toxicity - Single exposure - Category 1 (blood, cardiovascular system)

Specific target organ toxicity - Repeated exposure - Category 1 (blood), Category 2 (respiratory system, liver, kidney, adrenal gland, cardiovascular system)

8.2 Regulatory Information

The Australian Inventory of Industrial Chemicals
Chemical: Nitrous acid, calcium salt
REACH Registered Substance
New Zealand EPA Inventory of Chemical Status
Nitrous acid, calcium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

8.3 Other Safety Information

Chemical Assessment
IMAP assessments - Nitrous acid, calcium salt: Human health tier I assessment

9 Literature

9.1 Consolidated References

9.2 Springer Nature References

9.3 Thieme References

9.4 Chemical Co-Occurrences in Literature

9.5 Chemical-Disease Co-Occurrences in Literature

10 Patents

10.1 Depositor-Supplied Patent Identifiers

10.2 WIPO PATENTSCOPE

10.3 Chemical Co-Occurrences in Patents

10.4 Chemical-Disease Co-Occurrences in Patents

10.5 Chemical-Gene Co-Occurrences in Patents

11 Classification

11.1 ChemIDplus

11.2 UN GHS Classification

11.3 EPA CPDat Classification

11.4 NORMAN Suspect List Exchange Classification

11.5 EPA DSSTox Classification

11.6 EPA TSCA and CDR Classification

11.7 EPA Substance Registry Services Tree

11.8 MolGenie Organic Chemistry Ontology

12 Information Sources

  1. Australian Industrial Chemicals Introduction Scheme (AICIS)
  2. ChemIDplus
    ChemIDplus Chemical Information Classification
    https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
  3. EPA Chemical Data Reporting (CDR)
    LICENSE
    The U.S. Government retains a nonexclusive, royalty-free license to publish or reproduce these documents, or allow others to do so, for U.S. Government purposes. These documents may be freely distributed and used for non-commercial, scientific and educational purposes.
    https://www.epa.gov/web-policies-and-procedures/epa-disclaimers#copyright
    Nitrous acid, calcium salt (2:1)
    https://www.epa.gov/chemical-data-reporting
  4. EPA Chemicals under the TSCA
    Nitrous acid, calcium salt (2:1)
    https://www.epa.gov/chemicals-under-tsca
    EPA TSCA Classification
    https://www.epa.gov/tsca-inventory
  5. EPA DSSTox
    CompTox Chemicals Dashboard Chemical Lists
    https://comptox.epa.gov/dashboard/chemical-lists/
  6. European Chemicals Agency (ECHA)
    LICENSE
    Use 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-notice
  7. FDA Global Substance Registration System (GSRS)
    LICENSE
    Unless 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#linking
  8. New Zealand Environmental Protection Authority (EPA)
    LICENSE
    This work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.
    https://www.epa.govt.nz/about-this-site/general-copyright-statement/
  9. DailyMed
  10. EPA Chemical and Products Database (CPDat)
  11. NITE-CMC
    Calcium nitrite - FY2010 (New/original classication)
    https://www.chem-info.nite.go.jp/chem/english/ghs/10-mhlw-0023e.html
  12. Japan Chemical Substance Dictionary (Nikkaji)
  13. National Drug Code (NDC) Directory
    LICENSE
    Unless 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#linking
  14. Springer Nature
  15. Thieme Chemistry
    LICENSE
    The 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/
  16. Wikidata
  17. Wikipedia
  18. PubChem
  19. GHS Classification (UNECE)
  20. NORMAN Suspect List Exchange
    LICENSE
    Data: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0
    https://creativecommons.org/licenses/by/4.0/
    NORMAN Suspect List Exchange Classification
    https://www.norman-network.com/nds/SLE/
  21. EPA Substance Registry Services
  22. MolGenie
    MolGenie Organic Chemistry Ontology
    https://github.com/MolGenie/ontology/
  23. PATENTSCOPE (WIPO)
CONTENTS