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Nitrate

HCID 943
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인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
14797-55-8
표준 SMILES
O=[N+]([O-])[O-]
InChIKey
NHNBFGGVMKEFGY-UHFFFAOYSA-N
분자식
NO3-
평균 분자량
62.005 g/mol
단동위원소 질량
61.98781786

개요

Nitrate is a nitrogen oxoanion formed by loss of a proton from nitric acid. Principal species present at pH 7.3. It is a nitrogen oxoanion, a member of reactive nitrogen species and a monovalent inorganic anion. It is a conjugate base of a nitric acid.

이름 및 식별자

우선 이름
Nitrate
IUPAC
nitrate
영어명
NITRATE
분자식
NO3-
분자량
62

이름 및 동의어

nitrateNITRATE ION14797-55-8NitratesNitrate(1-)trioxonitrate(1-)trioxidonitrate(1-)INORGANIC NITRATEST93E9Y2844DTXSID5024217CHEBI:17632RefChem:6470
이름 더 보기
질산염NITRATE STANDARDSEKKEN-KNANO2 99% MINSODIUM NITRATNITROGEN STANDARDNITRATE IC STANDARDNITRATE ION STANDARD
DTXCID904217NO3-MFCD00144920UN3218CHEMBL186200Nitrate (6CI,7CI,8CI,9CI)UN1447NO3

데이터베이스 식별자

CAS
14797-55-8
PubChem CID
943
DTXSID
DTXSID5024217
ChEMBL
CHEMBL186200
ChEBI
CHEBI:17632
UNII
T93E9Y2844
Nikkaji
J215.749G

물성

구조 계산 물성

XLogP
-1.4
극성 표면적
62.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
4
형식 전하
-1
복잡도
18.8

실험 및 물리화학적 성질

Chemical ClassesNutrient
SpringerMaterials PropertiesSchoenflies notation
PesticidesPesticide -> EPA IRIS
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionSolid

물리화학적 성질

저장 조건
2 · 2-8°C
물리적 상태
액체
색상
무색의
수용성
물과 섞일 수 있습니다.
InChI
InChI=1S/NO3/c2-1(3)4/q-1
InChIKey
NHNBFGGVMKEFGY-UHFFFAOYSA-N
SMILES
[N+]([O-])([O-])=O
EPA
Nitrate (14797-55-8)

화학적 성질

A colorless liquid.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

유해성 정보

Regulatory Information · 2건

Hazard Traits - Hematotoxicity

Regulation (EC) No 1831/2003 (amended)

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

Mixtures of metal/nonmetal nitrates with alkyl esters may explode, owing to the formation of alkyl nitrates; mixtures of a nitrate with phosphorus, tin (II) chloride, or other reducing agents may react explosively [Bretherick 1979 p. 108-109].

DOT Hazard Classification · 6건

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

UN3218

Div 5.1 Oxidizer (49 eCFR § 173.127)

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

Nitrates, inorganic, n.o.s.

UN1477

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

안전 및 보호

Fire FightingExcerpt from ERG Guide 140 [Oxidizers]:
First AidExcerpt from ERG Guide 140 [Oxidizers]:

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

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)

Tissue LocationsAdipose Tissue

용도 및 제조

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
응용 분야 · 3건

개요Nitrate is commonly found in drinking water sources especially in agricultural areas where nitrogen fertilizer is used, and where unregulated shallow private wells are more at the risk of contamination. The World Health Organization (WHO) guideline of 50 ppm and the US maximum contaminant level (MCL) of 45 ppm for nitrate in drinking water have been established for protecting infants from methemoglobinemia, commonly known as blue baby syndrome. The health protective value continues to be a subject of public health interest for many years, with varying opinion on whether it is too high or too low. Evaluation of nitrate will need to include consideration of nitrite because both are closely related in the nitrogen cycle in the environment and the body, and nitrite plays a major role in inducing toxicity after its formation from nitrate. More recently, reports of nitrate in drinking water, especially at levels higher than 50 ppm, have been associated with other health effects other than methemoglobinemia. This toxicological review provides an update on the health effects of nitrate with a focus on methemoglobinemia, reproductive and developmental effects, potential carcinogenicity, and especially endocrine/thyroid effects.

관련 반응

914건
반응 기록 만들기
HRID 5222 반응식
HRID 5222반응물로uspto-grants-1993_09
HRID 11865 반응식
HRID 11865반응물로uspto-grants-2006_08
HRID 85788 반응식
HRID 85788반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 86768 반응식
HRID 86768반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 87686 반응식
HRID 87686반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 88903 반응식
HRID 88903반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 89500 반응식
HRID 89500반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 89690 반응식
HRID 89690반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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더보기
새 노트새 반응견적 요청하기
Nonfire Spill Response
Excerpt from ERG Guide 140 [Oxidizers]:
Isolation and EvacuationExcerpt from ERG Guide 140 [Oxidizers]:
Protective Action Criteria (PAC) · 3건

0.16 [ppm]

24 [ppm]

92 [ppm]

Personal Protective Equipment (PPE)Excerpt from ERG Guide 140 [Oxidizers]:

독성 정보

Toxicological InformationRanking: 186 (total points: 918.44)
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)

Target OrgansHematologic
Health EffectsNitrate and nitrite poisoning causes methemoglobinemia. Nitrites may cause pregnancy complications and developmental effects. They may also be carcinogenic. (L1137)
Adverse EffectsMain adverse effects from nitrate use come from dilation of the venous blood vessels. Other side effects can be reflexes from the activation of the sympathetic nervous system or re-exposure after withdrawal. These side effects include:
Exposure RoutesOral (L1137) ; inhalation (L1137)
Toxicity Summary · 2건

There is currently no evidence of the teratogenicity or carcinogenicity potential of nitrate.

Nitrate's toxicity is a result of it's conversion to nitrite once in the body. 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 · 1건

Nitrate and 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 · 3건

Nitrate

Hematologic

1.6 mg/kg-day

Carcinogen ClassificationIngested nitrate or nitrite under conditions that result in endogenous nitrosation is probably carcinogenic to humans (Group 2A). (L135)
Toxicity DataLD50: 138 ppm over 30 minutes (Inhalation, Rat) (A677)
RAIS Toxicity Values · 6건

4

ATSDR Final

1.6

IRIS Current

4

ATSDR Final

용도In the treatment of angina pectoris; in the manufacture of inorganic and organic nitrates and nitro compounds for fertilizers, dye intermediates, explosives, and many different organic chemicals.

일반 설명Crystalline solids. Salts of nitrate, such as ammonium nitrate, potassium nitrate, and sodium nitrate.

추가 설명

정의nitrate: A salt or ester of nitric acid.