Nitrous Acid

HCID 24529CAS 14797-65-0

기본 정보

표준 SMILES
O=NO
InChIKey
IOVCWXUNBOPUCH-UHFFFAOYSA-N
분자식
HNO2
평균 분자량
47.014 g/mol
단동위원소 질량
47.00072827

개요

Nitrous acid is a nitrogen oxoacid. It is a conjugate acid of a nitrite.

이름 및 식별자

우선 이름
Nitrous Acid
IUPAC
nitrous acid

이름 및 동의어

NITROUS ACIDNitrosyl hydroxide7782-77-6HNO2Kyselina dusitedioxonitric acidhydroxidooxidonitrogenAcid, NitrousT2I5UM75DNhydrogen dioxonitrate(1-)DTXSID7064813CHEBI:25567
이름 더 보기
(NO(OH))[NO(OH)]RefChem:6071DTXCID4048014231-963-7HONOKyselina dusite [Czech]EINECS 231-963-7

데이터베이스 식별자

CAS
14797-65-0、7782-77-6
PubChem CID
24529
DTXSID
DTXSID7064813
ChEMBL
CHEMBL1161681
ChEBI
CHEBI:25567
UNII
T2I5UM75DN
EC Number
231-963-7
Nikkaji
J1.970.560I、J4.496B

물성

구조 계산 물성

XLogP
-0.3
극성 표면적
49.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
3

실험 및 물리화학적 성질

Chemical ClassesToxic Gases & Vapors -> Acids, Inorganic
SpringerMaterials PropertiesSchoenflies notation
Solubility820g/L
DecompositionWhen heated to decomposition it emits highly toxic fumes of /nitroxides/.
Physical Description · 2건

Exists only in solution; Light blue liquid; [Merck Index]

Solid

Dissociation ConstantsWeak acid. pK (25 °C): 3.35

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300 (50%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Fire PotentialFlammable by chemical reaction; a powerful oxidzer.
Hazards SummaryRapidly forms nitric oxide and nitric acid in water; [Merck Index] A strong oxidizer; Causes burns; Highly toxic by ingestion and inhalation; [EPA OHM/TADS] See Nitric acid.
Hazard Classes and CategoriesAcute Tox. 2 (50%)
Explosive Limits and PotentialExplodes on contact with phosphorus trichloride.
Hazardous Reactivities and Incompatibilities · 1건

Reacts violenty with /phosphine/ and /phosphorus trichloride/. Reactions with 1-amino-5-nitrophenol, ammonium decahydroborate(2-), hydrazine (product is hydrogen azide); may give explosive products. Incompatibilities with anilines (e.g., 4-bromoaniline, 2-chloroaniline, 3-chloroaniline, 2-nitroaniline, 3-nitroaniline, 4-nitroaniline, aniline), semicarbazone, silver nitrate.

CSL Reaction Information · 6건

CSL00201

1,5-Diamino-1H-tetrazole + Carbonimidic dihydrazide, hydrochloride + 5-Azido-2H-tetrazole + Nitrous acid + Ethanol

"We recently had an unanticipated explosion resulting in the injury of two chemists. The workers were repeating a recently published preparation of 1,5-diamino-1H-tetrazole by the aqueous diazotization of diaminoguanidine hydrochloride using a single equivalent of nitrous acid (Inorg. Chem. 2005, 44, 4237). After neutralization (pH 8) and evaporation, the desired product is extracted from the inorganic salts with hot ethanol. The ethanol is then evaporated and the resulting solid recrystallized from water. The preparation states that the product is pure after the ethanol extraction. Unfortunately, we have found that the ethanol extracts not only the desired product but also a very sensitive side product, 5-azidotetrazole. This side product is produced by either double diazotization of diaminoguanidine or possibly by diazotization of the desired product through the intermediate 1H-tetrazolo[1,5-d]tetrazole. If this procedure is repeated, it is imperative that the ethanol extract not be taken to dryness." (reprint of full text)

Explosive

Not Available

10.1021/cen-v083n030.p005

안전 및 보호

Disposal Methods · 1건

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal and plant life; and conformance with environmental and public health regulations.

Protective Action Criteria (PAC) · 3건

0.16 [ppm]

24 [ppm]

92 [ppm]

독성 정보

Treatment · 1건

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. (L1613)

Interactions · 2건

The Ames/Salmonella assay was used to determine the effect of nitrous acid on the mutagenicity of solvent refined coal (SRC) distillates and distillate fractions. The SRC materials consisted of the higher-molecular-weight, high-boiling distillates, the process solvent (PS) and heavy distillate (HD), and also included the basic tar and neutral tar chemical fractions derived from these 2 distillates. Nitrosation products of each of the SRC materials were less mutagenic than the distillates of distillate fractions from which they were derived (untreated materials); in most cases they were less than 10% as mutagenic as that observed in the starting materials. The mutagenicity of the SRC materials after nitrous acid treatment was direct-acting, whereas all mutagenicity associated with the untreated SRC materials was indirect and required metabolic activation for expression in the Ames assay system.

... The ability of monomeric and dimeric flavanols to scavenge reactive nitrogen species derived from nitrous acid /is demonstrated/. Both epicatechin and dimer B2 (epicatechin dimer) inhibited nitrous acid-induced formation of 3-nitrotyrosine and the formation of the carcinogenic N-nitrosamine, N-nitrosodimethylamine. The reaction of monomeric and dimeric epicatechin with nitrous acid led to the formation of mono- and di-nitroso flavanols, whereas the reaction with hesperetin resulted primarily in the formation of nitrated products. Although, epicatechin was transferred across the jejunum of the small intestine yielding metabolites, its nitroso form was not absorbed. Dimer B2 but not epicatechin monomer inhibited the proliferation of, and triggered apoptosis in, Caco-2 cells. The latter was accompanied by caspase-3 activation and reductions in Akt phosphorylation, suggesting activation of apoptosis via inhibition of prosurvival signaling. Furthermore, the dinitroso derivative of dimer B2, and to a lesser extent the dinitroso-epicatechin, also induced significant toxic effects in Caco-2 cells. The inhibitory effects on cellular proliferation were paralleled by early inhibition of ERK 1/2 phosphorylation and later reductions in cyclin D1 levels, indicating modulation of cell cycle regulation in Caco-2 cells. These effects highlight multiple routes in which dietary derived flavanols may exert beneficial effects in the gastrointestinal tract.

Health EffectsNitrite poisoning causes methemoglobinemia. Nitrites may cause pregnancy complications and developmental effects. They may also be carcinogenic. (L1137)
Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesOral (L1137) ; inhalation (L1137)
Toxicity Summary · 1건

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. (A2450, L1613)

화학 및 산업

약리 정보

PharmacodynamicsSodium nitrite reverses cyanide toxicity and produces blood vessel dilation.
Mechanism of Action · 4건

Cyanide has a high affinity for the oxidized form of iron (Fe3+) such as that found in cytochrome oxidase a3. Cyanide binds to and inhibits cytochrome oxidase a3, preventing oxidative phophorylation from occuring. The resultant lack of ATP cannot support normal cellular processes, particularly in the brain. Compensatory increases in anaerobic respiration result in rising levels of lactic acid and subsequent acidosis. Nitrite primarily acts by oxidizing hemoglobin to methemoglobin. The now oxidized Fe3+ in methemoglobin also binds cyanide with high affinity and accepts cyanide from cytochrome a3. This leaves cytochrome a3 free to resume its function in oxidative phosphorylation. The slow dissociation of cyanide from methemoglobin allows hepatic enzymes such as rhodanese to detoxify the compound without further systemic toxicity occuring. Methemoglobin is reduced back to hemoglobin by methemoglobin reductase allowing the affected blood cells to resume normal functioning. The reduction of nitrite by hemoglobin results in the formation of nitric oxide. Nitric oxide acts as a powerful vasodilator, producing vascular smooth muscle relaxation through activation of soluble guanylate cyclase and the subsequent cyclic guanylyl triphosphate mediated signalling cascade.

The effect of nitrous acid (NA) on viability, integrity of cellular DNA and on membrane transport were studied in 5 strains of Escherichia coli. Stationary phase cells, grown on mineral salts medium, were exposed to NA. The viability of strains decreased in the following order: W3110 wild-type greater than WP2 wild-type, WP2 uvrA greater than NG30 recA greater than P3478 polA. Alterations were found in the DNA sedimentation profile in alkaline sucrose gradient. Disturbance of DNA synthesis was measured by 3H-labelled thymidine ([3H]Thd) incorporation. No degradation of DNA was found after NA treatment. Low doses of NA caused significant inhibition of leucine and glucose transport into whole cells. The results are interpreted in terms of the multi-target action of NA causing the death of cells.

Exposure of alpha 1-proteinase inhibitor (alpha 1-PI) to nitrous acid resulted in a complete inactivation of either of its elastase or trypsin inhibitors activities. Amino acid analyses of the nitrous acid treated inhibitor revealed only losses of one tryphanyl and three lysyl residues. Reductive methylation of alpha 1-PI offered no protection against loss of activity by nitrous acid. Since no further loss of lysyl residues was observed upon exposure of fully active reductively methylated alpha 1-PI to nitrous acid, modification of one tryptophanyl residue appears to be responsible for the inhibitor's sensitivity to nitrous acid. Absorption spectral studies of the nitrous acid treated alpha 1-PI indicated that the tryptophanyl residue was modified to its N-nitroso derivative.

Nitrous acid is a mutagenic agent. It can induce interstrand cross-links in duplex DNA, preferentially at d(CpG) steps: two guanines on opposite strands are linked via a single shared exocyclic imino group. Recent synthetic advances have led to the production of large quantities of such structurally homogenous cross-linked duplex DNA. Here ... the high resolution solution structure of the cross-linked dodecamer [d(GCATCCGGATGC)]2 (the cross-linked guanines are underlined), determined by 2D NMR spectroscopy, distance geometry, restrained molecular dynamics and iterative NOE refinement /is presented/. The cross-linked guanines form a nearly planar covalently linked 'G:G base pair' with only minor propeller twisting, while the cytidine bases of their normal base pairing partners have been flipped out of the helix and adopt well defined extrahelical positions in the minor groove. On the 5'-side of the cross-link, the minor groove is widened to accommodate these extrahelical bases, and the major groove becomes quite narrow at the cross-link. The cross-linked 'G:G base pair' is well stacked on the spatially adjacent C:G base pairs, particularly on the 3'-side guanines. In addition to providing the first structure of a nitrous acid cross-link in DNA, these studies could be of major importance to the understanding of the mechanisms of nitrous acid cross-linking and mutagenicity, as well as the mechanisms responsible for its repair in intracellular environments...

Biological Half-LifeHalf life of 0.4-0.78h.
Metabolism/Metabolites · 3건

Reduced by deoxyhemoglobin to form nitric oxide. Nitrite is also reduced to nitric oxide and further reduced to ammonia by gut bacteria. Nitrite can be oxidized to nitrate by oxyhemoglobin.

The reactions of nitrogen dioxide with cyclohexene have been studied as a model for the reactions that occur between nitrogen dioxide in smoggy air and unsaturated fatty acids in pulmonary lipids. As predicted from earlier studies at high nitrogen dioxide concentrations, this gas reacts with cyclohexene predominantly by addition to the double bond at nitrogen dioxide concentrations of 1 percent (10,000 parts per million) to 40 percent in nitrogen; in the presence of air or oxygen, this reaction initiates the autoxidation of the alkene. However, at concentrations below 100 parts per million in nitrogen, nitrogen dioxide reacts with cyclohexene almost exclusively by abstraction of allylic hydrogen; this unexpected reaction also initiates the autoxidation of the alkene in the presence of oxygen or air, but it leads to the production of nitrous acid rather than of a product containing a nitro group attached to a carbon atom. The nitrous acid can react with amines to produce nitrosamines. Moreover, the nitrite ion produced by the hydrogen abstraction mechanism would be expected to diffuse throughout the body, unlike nitrated lipids that would be confined to the pulmonary cavity. These findings have been confirmed with methyl oleate, linoleate, and linolenate; some of the kinetic features of the nitrogen dioxide-initiated autoxidation of these unsaturated fatty acids have been studied. .

Nitrites and their metabolites are excreted in the urine. (L1137)

Absorption, Distribution and Excretion · 1건

Reactive nitrogen species derived from nitric oxide are potent oxidants formed during inflammation that can oxidize membrane and lipoprotein lipids in vivo. ... Several of these species react with unsaturated fatty acid to yield nitrated oxidation products. ... Reaction of HPODE, but not linoleate, with nitrous acid (HONO) or isobutyl nitrite (BuiONO) yielded a product at m/z 340, or 341 upon reacting with [15N]HONO. MS/MS analysis gave an NO2- fragment, and 15N NMR indicated that the product contained a nitro (RNO2) functional group, suggesting that the product was nitroepoxylinoleic acid [L(O)NO2]. This species could form via homolytic dissociation of LOONO to LO* and *NO2 and rearrangement of LO* to an epoxyallylic radical L(O)* followed by recombination of L(O)* with *NO2. Since unsaturated lipids of membranes and lipoproteins are critical targets of reactive oxygen and nitrogen species, these pathways lend insight into mechanisms for the formation of novel nitrogen-containing lipid products in vivo and provide synthetic strategies for further structural and functional studies.

Tissue LocationsBladder

용도 및 제조

Uses · 3건

Formed as a product of combustion and when nitrogen dioxide reacts with water; Used to make diazotizing compounds and as a source of nitric oxide; [HSDB]

Formation of diazotizing compounds by reaction with primary aromatic amines, source of nitric oxide

Nitrous acid is used in chemical synthesis. (L1615)

Methods of Manufacturing · 2건

Formed by the action of strong acids on inorganic nitrites.

Nitrous acid is not an article of commerce owing to its inherent instability. Sodium nitrite serves as the primary industrial source for nitrous acid in organic syntheses, for instance in the diatozation and nitrosation of aromatic amines. Under controlled conditions of acidification, the nitrous acid generated can react before excessive decomposition occurs.

General Manufacturing Information · 2건

Nitrous acid: ACTIVE

... also formed when nitrogen dioxide (NO2) reacts with water

관련 반응

77건

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