클로로니트로아닐린

Benzenamine, chloronitro-

HCID 44144434

기본 정보

CAS: 41587-36-4
표준 SMILES: O=[N+]([O-])N(Cl)c1ccccc1
InChIKey: LHHIALSOMNPUOW-UHFFFAOYSA-N
분자식: C6H5ClN2O2
평균 분자량: 172.57 g/mol
단동위원소 질량: 172.0039551

개요

Chloronitroanilines are yellowish to tan colored crystalline. The solvent may be flammable. They are insoluble in water. They are toxic by inhalation and ingestion. They are used to make dyes and pharmaceuticals.

이름 및 식별자

우선 이름: Benzenamine, chloronitro-
IUPAC: N-chloro-N-phenylnitramide
현지명: 클로로니트로아닐린
영어명: Chloronitroaniline
분자식: C6H5ClN2O2
분자량: 172.57

이름 및 동의어

Benzenamine, chloronitro-41587-36-4RefChem:117239ChloronitroanilineChloronitroanilinesN-chloro-N-phenylnitramideSCHEMBL532322DTXSID30866050클로로니트로아닐린

데이터베이스 식별자

CAS: 41587-36-4
PubChem CID: 44144434
DTXSID: DTXSID30866050

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 49.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 142

실험 및 물리화학적 성질

Physical DescriptionChloronitroanilines are yellowish to tan colored crystalline. The solvent may be flammable. They are insoluble in water. They are toxic by inhalation and ingestion. They are used to make dyes and pharmaceuticals.

물리화학적 성질

EPA: Chloronitroaniline (41587-36-4)

안전 및 규제

유해성 정보

DOT LabelPoison

Fire Hazards · 2건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

· Combustible material: may burn but does not ignite readily.

Health Hazards · 2건

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.

DOT ID and Guide2237 153

Reactive GroupAmines, Phosphines, and Pyridines

Reactivity AlertsHighly Flammable

안전 및 보호

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Accidental Release Measures · 2건

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Isolation and Evacuation · 2건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Immediate precautionary measure

화학 및 산업

응용 분야

일반 설명Chloronitroaniline are yellowish to tan colored crystalline. The solvent may be flammable. They are insoluble in water. They are toxic by inhalation and ingestion. They are used to make dyes and pharmaceuticals.