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Nitrite

HCID 946
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
14797-65-0
標準SMILES
O=N[O-]
InChIKey
IOVCWXUNBOPUCH-UHFFFAOYSA-M
分子式
NO2-
平均分子量
46.006 g/mol
単同位体質量
45.99345182

概要

Nitrites, inorganic, n.o.s. appears as colorless solutions or crystalline solids. Denser than water. Contact may cause irritation to skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.

名称と識別子

優先名称
Nitrite
IUPAC
nitrite

名称と別名

nitriteNitrite Ion14797-65-0Nitrite anionNitrite (NO2-)NitritesNitrous acid, ion(1-)Nitrite(1-)Nitrite ion (NO2-)Nitrogen dioxide ion(1-)Nitrogen peroxide ion(1-)DTXSID5024219
名称をさらに表示
J39976L608CHEBI:16301RefChem:55716DTXCID704219NO2-MFCD00144923Nitrite as N @ 1000 microg/mL in H2ONitrite Standard: NO2- @ 1000 microg/mL in H2O

データベース識別子

CAS
14797-65-0
PubChem CID
946
DTXSID
DTXSID5024219
ChEBI
CHEBI:16301
UNII
J39976L608
Nikkaji
J95.225G

物性

構造計算による物性補完中

XLogP
-0.8
極性表面積
52.5 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
0
重原子数
3
形式電荷
-1
複雑度
7.5

実験および物理化学的性質

Chemical ClassesNutrient
PesticidesPesticide -> EPA IRIS
Physical DescriptionNitrites, inorganic, n.o.s. appears as colorless solutions or crystalline solids. Denser than water. Contact may cause irritation to skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

危険有害性情報

Regulatory Information · 2 件

Hazard Traits - Hematotoxicity

Regulation (EC) No 257/2010

DOT LabelOxidizer
Fire HazardsExcerpt from ERG Guide 140 [Oxidizers]:
Health HazardsExcerpt from ERG Guide 140 [Oxidizers]:
Reactive GroupNitrate and Nitrite Compounds, Inorganic
Reactivity AlertsStrong Oxidizing Agent
Reactivity Profile · 1 件

NITRITES, INORGANIC, N.O.S. are oxidizing agents. React with acids to form toxic nitrogen dioxide gas. A violent explosion occurs if an ammonium salt is melted with a nitrite salt [Von Schwartz 1918. p 299]. A mixture with potassium cyanide may cause an explosion [Pieters 1957. p. 30].

DOT Hazard Classification · 6 件

Nitrites, inorganic, aqueous solution, n.o.s

UN3219

Div 5.1 Oxidizer (49 eCFR § 173.127)

PG II: the degree of danger presented by the material is medium

Symbol G: The proper shipping name for which one or more technical names of the hazardous material must be entered in parentheses, in association with the basic description. (49 eCFR §172.203(k))

Nitrites, inorganic, n.o.s.

Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.

安全と保護具

Fire FightingExcerpt from ERG Guide 140 [Oxidizers]:

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Intake of some amount of nitrates and nitrites is a normal part of the nitrogen cycle in humans. In vivo conversion of nitrates to nitrites can occur in the gastrointestional tract under the right conditions, significantly enhancing nitrates' toxic potency. The major metabolic pathway for nitrate is conversion to nitrite, and then to ammonia. Nitrites, nitrates, and their metabolites are excreted in the urine. (L1137)

用途と製造

UsesNitrates and nitrites are naturally produced and may also be found in pesticides. Exposure usually occurs from contact with contaminated soil, food water. Nitrates may also be found in certain drugs. (L1137)
Use ClassificationFood Additives -> COLOUR_RETENTION_AGENT; PRESERVATIVE -> JECFA Functional Classes

関連反応

2,632 件
反応記録を作成
HRID 7265 の反応式
HRID 7265反応物としてuspto-grants-2006_08
HRID 8840 の反応式
HRID 8840反応物としてuspto-grants-2006_08
HRID 16123 の反応式
HRID 16123反応物としてuspto-grants-2010_06
HRID 27449 の反応式
HRID 27449反応物としてuspto-grants-1980_09
HRID 29028 の反応式
HRID 29028反応物としてuspto-grants-2008_09
HRID 86346 の反応式
HRID 86346反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 86701 の反応式
HRID 86701反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 86829 の反応式
HRID 86829反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
1 / 329 ページ

化合物ノート

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その他の操作
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First AidExcerpt from ERG Guide 140 [Oxidizers]:
Nonfire Spill ResponseExcerpt from ERG Guide 140 [Oxidizers]:
Isolation and EvacuationExcerpt from ERG Guide 140 [Oxidizers]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 140 [Oxidizers]:

毒性情報

Treatment · 1 件

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)

Target OrgansHematologic
Health EffectsNitrite poisoning causes methemoglobinemia. Nitrites may cause pregnancy complications and developmental effects. They may also be carcinogenic. (L1137)
Exposure RoutesOral (L1137) ; inhalation (L1137)
Toxicity Summary · 1 件

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)

Signs and Symptoms · 1 件

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. (L1137)

EPA IRIS Information · 3 件

Nitrite

Hematologic

1 x 10 ^-1 mg/kg-day

Carcinogen ClassificationIngested nitrate or nitrite under conditions that result in endogenous nitrosation is probably carcinogenic to humans (Group 2A). (L135)
RAIS Toxicity Values · 6 件

0.1

ATSDR Final

0.1

IRIS Current

0.1

ATSDR Final

USGS Health-Based Screening Levels for Evaluating Water-Quality · 6 件

Nitrogen, Nitrite

00613

Nutrient

1000

Nitrite (as N)

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6 件

7.80e+03

1.20e+05

2.00e+03

1.00e+03

1.00e-01

Volatile

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6 件

2.30e+04

3.50e+05

6.00e+03

1.00e+03

1.00e-01

Volatile