기본 정보
- CAS
25567-67-3- 표준 SMILES
O=[N+]([O-])c1cccc(Cl)c1[N+](=O)[O-]- InChIKey
KYDXWCHDUCDNGR-UHFFFAOYSA-N- 분자식
- C6H3ClN2O4
- 평균 분자량
- 202.55 g/mol
- 단동위원소 질량
- 201.9781343
개요
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.
이름 및 식별자
- 우선 이름
- 1-Chloro-2,3-dinitrobenzene
- IUPAC
- 1-chloro-2,3-dinitrobenzene
- 현지명
- 1-클로로-2,3-디니트로벤젠
- 영어명
- 1-Chloro-2,3-dinitrobenzene
- 분자식
- C6H3ClN2O4
- 분자량
- 202.55
이름 및 동의어
1-chloro-2,3-dinitrobenzene602-02-8Benzene, 1-chloro-2,3-dinitro-5VA83XCB6BRefChem:575835DTXSID20948455DTXCID201376686Benzene, chlorodinitro-25567-67-3ChlorodinitrobenzenesDinitrochlorobenzenesEINECS 247-109-1
이름 더 보기
1-클로로-2,3-디니트로벤젠
UN1577UNII-5VA83XCB6BChlorodinitrobenzene, all isomersSCHEMBL41402Indocyanine Green Impurity 38SCHEMBL9789548SCHEMBL11049111SCHEMBL11523288
데이터베이스 식별자
- CAS
25567-67-3、602-02-8- PubChem CID
- 33096
- DTXSID
DTXSID20948455- UNII
- 5VA83XCB6B
- Nikkaji
- J95.370I
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 91.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 224
실험 및 물리화학적 성질
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.
화학적 성질
Crystals. Soluble in ethanol and ether; insoluble in water.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
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.
안전 및 보호
Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
화학 및 산업
약리 정보
Metabolism/Metabolites1-chloro-2,3-dinitrobenzene has known human metabolites that include S-(2,3-dinitrophenyl)glutathione.
상·하류 제품 정보
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