硝酸アニオン

Nitrate

基本情報

CAS: 14797-55-8
標準SMILES: O=[N+]([O-])[O-]
InChIKey: NHNBFGGVMKEFGY-UHFFFAOYSA-N
分子式: NO3-
平均分子量: 62.005 g/mol
単同位体質量: 61.98781786

概要

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.

名称と識別子

優先名称: Nitrate
IUPAC: nitrate
現地名: 硝酸アニオン
英語名: NITRATE
分子式: NO3-
分子量: 62

名称と別名

nitrateNITRATE ION14797-55-8NitratesNitrate(1-)trioxonitrate(1-)trioxidonitrate(1-)INORGANIC NITRATEST93E9Y2844DTXSID5024217CHEBI:17632RefChem:6470

名称をさらに表示

硝酸イオンニトラート硝酸アニオン硝酸塩硝酸性窒素ビス(1-ナフチルメチル)アミニウムビス[(ナフタレン-2-イル)メチル]アザニウムビス(2-ナフチルメチル)アミニウムビス[(ナフタレン-1-イル)メチル]アザニウムNITRATE STANDARDSEKKEN-KNANO2 99% MINSODIUM NITRATNITROGEN STANDARDNITRATE IC STANDARDNITRATE ION STANDARD

DTXCID904217NO3-MFCD00144920UN3218CHEMBL186200Nitrate (6CI,7CI,8CI,9CI)UN1447NO3

データベース識別子

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

物性

構造計算による物性

XLogP: -1.4
極性表面積: 62.9 Å²
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: 4
形式電荷: -1
複雑度: 18.8

実験および物理化学的性質

Chemical ClassesNutrient

SpringerMaterials PropertiesSchoenflies notation

PesticidesPesticide -> EPA IRIS

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionSolid

物理化学的性質

貯蔵温度: 2 · 2-8°C
外見: 液体
色: 無色透明
水溶解度: 水と混和します。
InChI: InChI=1S/NO3/c2-1(3)4/q-1
InChIKey: NHNBFGGVMKEFGY-UHFFFAOYSA-N
SMILES: [N+]([O-])([O-])=O
EPAの化学物質情報: Nitrate (14797-55-8)

化学的性質

化学的特性A colorless liquid.

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 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

安全と保護具

Fire FightingExcerpt from ERG Guide 140 [Oxidizers]:

First AidExcerpt from ERG Guide 140 [Oxidizers]:

Nonfire Spill ResponseExcerpt from ERG Guide 140 [Oxidizers]:

Isolation and EvacuationExcerpt from ERG Guide 140 [Oxidizers]:

Protective Action Criteria (PAC) · 3 件

0.16 [ppm]

24 [ppm]

92 [ppm]

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

毒性情報

Toxicological InformationRanking: 186 (total points: 918.44)

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 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)

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)

Tissue LocationsAdipose Tissue

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

応用分野 · 4 件

解説一般式MINO3．一般に，水溶性の無色結晶．加熱すると，最終的に酸素あるいは窒素酸化物を放って分解するので，強い酸化作用がある．

説明Nitrate 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.

使用In 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.

一般的な説明Crystalline solids. Salts of nitrate, such as ammonium nitrate, potassium nitrate, and sodium nitrate.

補足説明

定義nitrate: A salt or ester of nitric acid.

化合物ノート

読み込み中…

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基本情報

CAS: 14797-55-8
標準SMILES: O=[N+]([O-])[O-]
InChIKey: NHNBFGGVMKEFGY-UHFFFAOYSA-N
分子式: NO3-
平均分子量: 62.005 g/mol
単同位体質量: 61.98781786

概要