| Record Information |
|---|
| Version | 2.0 |
|---|
| Creation Date | 2009-08-05 14:20:32 UTC |
|---|
| Update Date | 2014-12-24 20:26:08 UTC |
|---|
| Accession Number | T3D3549 |
|---|
| Identification |
|---|
| Common Name | Nitrous acid |
|---|
| Class | Small Molecule |
|---|
| Description | Nitrous acid is a weak and monobasic acid known only in solution and in the form of nitrite salts. It is prepared by adding any mineral acid to sodium nitrite and is used in chemical synthesis. Nitrite is a toxic compound known to cause methemoglobinemia. (3, 5) |
|---|
| Compound Type | - Industrial/Workplace Toxin
- Inorganic Compound
- Nitrite
- Non-Metal
- Synthetic Compound
|
|---|
| Chemical Structure | |
|---|
| Synonyms | | Synonym | | Dioxonitric acid | | HNO2 | | hydrogen dioxonitrate(1-) | | Hydroxidooxidonitrogen | | Hyponitrite | | Hyponitrous acid | | Kyselina dusite | | Nitrosyl hydroxide | | Nitrous acid trans | | [NO(OH)] |
|
|---|
| Chemical Formula | HNO2 |
|---|
| Average Molecular Mass | 47.013 g/mol |
|---|
| Monoisotopic Mass | 47.001 g/mol |
|---|
| CAS Registry Number | 7782-77-6 |
|---|
| IUPAC Name | nitrous acid |
|---|
| Traditional Name | nitrous acid |
|---|
| SMILES | ON=O |
|---|
| InChI Identifier | InChI=1S/HNO2/c2-1-3/h(H,2,3) |
|---|
| InChI Key | InChIKey=IOVCWXUNBOPUCH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of inorganic compounds known as non-metal nitrites. These are inorganic non-metallic compounds containing a nitrite as its largest oxoanion. |
|---|
| Kingdom | Inorganic compounds |
|---|
| Super Class | Homogeneous non-metal compounds |
|---|
| Class | Non-metal oxoanionic compounds |
|---|
| Sub Class | Non-metal nitrites |
|---|
| Direct Parent | Non-metal nitrites |
|---|
| Alternative Parents | |
|---|
| Substituents | - Non-metal nitrite
- Inorganic nitrite
- Inorganic oxide
|
|---|
| Molecular Framework | Not Available |
|---|
| External Descriptors | |
|---|
| Biological Properties |
|---|
| Status | Detected and Not Quantified |
|---|
| Origin | Exogenous |
|---|
| Cellular Locations | |
|---|
| Biofluid Locations | Not Available |
|---|
| Tissue Locations | Not Available |
|---|
| Pathways | Not Available |
|---|
| Applications | Not Available |
|---|
| Biological Roles | Not Available |
|---|
| Chemical Roles | Not Available |
|---|
| Physical Properties |
|---|
| State | Liquid |
|---|
| Appearance | Pale blue solution. |
|---|
| Experimental Properties | | Property | Value |
|---|
| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available | | LogP | Not Available |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | | Spectrum Type | Description | Splash Key | Deposition Date | View |
|---|
| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | View Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Negative (Annotated) | splash10-0007-9000000000-9cf82c70d7bc0883ea95 | 2018-05-17 | View Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Negative (Annotated) | splash10-0005-9000000000-e52588fd7e5b6989584d | 2018-05-17 | View Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Negative (Annotated) | splash10-0007-9000000000-891acfcb7562d9875939 | 2018-05-17 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-9000000000-701578487c4dc8b94d22 | 2015-09-15 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-9000000000-701578487c4dc8b94d22 | 2015-09-15 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9000000000-701578487c4dc8b94d22 | 2015-09-15 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-9000000000-9c61b79c18a51c772d86 | 2015-09-15 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-9000000000-9c61b79c18a51c772d86 | 2015-09-15 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0002-9000000000-9c61b79c18a51c772d86 | 2015-09-15 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-9000000000-f32ca30bef7a838cd1d9 | 2021-09-22 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-9000000000-f32ca30bef7a838cd1d9 | 2021-09-22 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9000000000-25fa00bd60fa653bf828 | 2021-09-22 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-9000000000-a0441e6336543cb88423 | 2021-09-23 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-9000000000-a0441e6336543cb88423 | 2021-09-23 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0002-9000000000-a0441e6336543cb88423 | 2021-09-23 | View Spectrum |
|
|---|
| Toxicity Profile |
|---|
| Route of Exposure | Oral (3) ; inhalation (3) |
|---|
| Mechanism of Toxicity | Nitrite causes the autocatalytic oxidation of oxyhemoglobin to hydrogen peroxide and methemoglobin. This elevation of methemoglobin levels is a condition known as methemoglobinemia, and is characterized by tissue hypoxia, as methemoglobin cannot bind oxygen. (1, 4) |
|---|
| Metabolism | Nitrites and their metabolites are excreted in the urine. (3) |
|---|
| Toxicity Values | Not Available |
|---|
| Lethal Dose | 10 to 100 mg/kg for an adult human. (6) |
|---|
| Carcinogenicity (IARC Classification) | Ingested nitrate or nitrite under conditions that result in endogenous nitrosation is probably carcinogenic to humans (Group 2A). (2) |
|---|
| Uses/Sources | Nitrous acid is used in chemical synthesis. (5) |
|---|
| Minimum Risk Level | Not Available |
|---|
| Health Effects | Nitrite poisoning causes methemoglobinemia. Nitrites may cause pregnancy complications and developmental effects. They may also be carcinogenic. (3) |
|---|
| Symptoms | Nitrite poisoning causes methemoglobinemia. Symptoms include cyanosis, cardiac dysrhythmias and circulatory failure, and progressive central nervous system (CNS) effects. CNS effects can range from mild dizziness and lethargy to coma and convulsions. (3) |
|---|
| Treatment | Methemoglobinemia can be treated with supplemental oxygen and methylene blue 1% solution administered intravenously slowly over five minutes followed by IV flush with normal saline. Methylene blue restores the iron in hemoglobin to its normal (reduced) oxygen-carrying state. (4) |
|---|
| Normal Concentrations |
|---|
| Not Available |
|---|
| Abnormal Concentrations |
|---|
| Not Available |
|---|
| External Links |
|---|
| DrugBank ID | Not Available |
|---|
| HMDB ID | Not Available |
|---|
| PubChem Compound ID | 24529 |
|---|
| ChEMBL ID | Not Available |
|---|
| ChemSpider ID | Not Available |
|---|
| KEGG ID | C01818 |
|---|
| UniProt ID | Not Available |
|---|
| OMIM ID | |
|---|
| ChEBI ID | 25567 |
|---|
| BioCyc ID | CPD-1541 |
|---|
| CTD ID | Not Available |
|---|
| Stitch ID | Nitrous acid |
|---|
| PDB ID | Not Available |
|---|
| ACToR ID | Not Available |
|---|
| Wikipedia Link | Nitrous_acid |
|---|
| References |
|---|
| Synthesis Reference | Not Available |
|---|
| MSDS | T3D3549.pdf |
|---|
| General References | - Keszler A, Piknova B, Schechter AN, Hogg N: The reaction between nitrite and oxyhemoglobin: a mechanistic study. J Biol Chem. 2008 Apr 11;283(15):9615-22. doi: 10.1074/jbc.M705630200. Epub 2008 Jan 17. [18203719 ]
- International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. [Link]
- ATSDR - Agency for Toxic Substances and Disease Registry (2007). Case Studies in Environmental Medicine. Nitrate/Nitrite Toxicity. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
- Wikipedia. Methemoglobinemia. Last Updated 22 July 2009. [Link]
- Wikipedia. Nitrous acid. Last Updated 17 June 2009. [Link]
- International Programme on Chemical Safety (IPCS) INCHEM (1996). Poison Information Monograph for Nitrates and Nitrites. [Link]
|
|---|
| Gene Regulation |
|---|
| Up-Regulated Genes | Not Available |
|---|
| Down-Regulated Genes | Not Available |
|---|
