基本情報
- CAS
25567-67-3- 標準SMILES
O=[N+]([O-])c1cccc(Cl)c1[N+](=O)[O-]- InChIKey
KYDXWCHDUCDNGR-UHFFFAOYSA-N- 分子式
- C6H3ClN2O4
- 平均分子量
- 202.55 g/mol
- 単同位体質量
- 201.9781343
概要
Chlorodinitrobenzenes appears as a colorless to yellow crystalline solid with an almond-like odor. Insoluble in water. Combustible but may be difficult to ignite. Toxic by skin absorption or inhalation (dust, etc.). May spontaneously decompose and explode under prolonged exposure to fire or heat. Produces toxic oxides of nitrogen during combustion.
名称と識別子
- 優先名称
- 1-Chloro-2,3-dinitrobenzene
- IUPAC
- 1-chloro-2,3-dinitrobenzene
- 現地名
- 1-クロロ-2,3-ジニトロベンゼン
- 英語名
- 1-Chloro-2,3-dinitrobenzene
- 分子式
- C6H3ClN2O4
- 分子量
- 202.55
名称と別名
1-chloro-2,3-dinitrobenzene602-02-8Benzene, 1-chloro-2,3-dinitro-5VA83XCB6BRefChem:575835DTXSID20948455DTXCID201376686Benzene, chlorodinitro-25567-67-3ChlorodinitrobenzenesDinitrochlorobenzenesEINECS 247-109-1
名称をさらに表示
1-クロロ-2,3-ジニトロベンゼン
UN1577UNII-5VA83XCB6BChlorodinitrobenzene, all isomersSCHEMBL41402Indocyanine Green Impurity 38SCHEMBL9789548SCHEMBL11049111SCHEMBL11523288
データベース識別子
- CAS
25567-67-3、602-02-8- PubChem CID
- 33096
- DTXSID
DTXSID20948455- UNII
- 5VA83XCB6B
- Nikkaji
- J95.370I
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 91.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 0
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 224
実験および物理化学的性質
Physical Description
Chlorodinitrobenzenes appears as a colorless to yellow crystalline solid with an almond-like odor. Insoluble in water. Combustible but may be difficult to ignite. Toxic by skin absorption or inhalation (dust, etc.). May spontaneously decompose and explode under prolonged exposure to fire or heat. Produces toxic oxides of nitrogen during combustion.
化学的性質
化学的特性Crystals. Soluble in ethanol and ether; insoluble in water.
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
DOT LabelPoison
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.
· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.
DOT ID and Guide
1577 153
3441 153
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity ProfileThe reaction of 2,4-Dinitrochlorobenzene and hydrazine hydrate is exothermic, it shattered the reaction flask, [Wischmeyer (1967)].
DOT Hazard Classification
Chlorodinitrobenzenes, liquid or solid
Marine pollutant
Dinitrochlorobenzenes, liquid or solid
Marine pollutant
Chlorodinitrobenzenes, liquid.
UN1577
Air and Water ReactionsInsoluble in water.
安全と保護具
Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
化学と産業
薬理情報
Metabolism/Metabolites1-chloro-2,3-dinitrobenzene has known human metabolites that include S-(2,3-dinitrophenyl)glutathione.
上流・下流製品情報
下流製品
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