기본 정보
- 표준 SMILES
O=[N+]([O-])c1ccccc1S(=O)(=O)O- InChIKey
HWTDMFJYBAURQR-UHFFFAOYSA-N- 분자식
- C6H5NO5S
- 평균 분자량
- 203.17 g/mol
- 단동위원소 질량
- 202.98884326
개요
Nitrobenzenesulfonic acid appears as a whitish colored solid in the form of flakes. It will form a corrosive solution in water. Denser than water. Severely irritates skin and eyes. Used to make other chemicals.
이름 및 식별자
- 우선 이름
- 2-Nitrobenzenesulphonic acid
- IUPAC
- 2-nitrobenzenesulfonic acid
- 영어명
- 2-Nitrobenzenesulfonic acid
- 분자식
- C6H5NO5S
- 분자량
- 203.17
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
31212-28-9、80-82-0- PubChem CID
- 6664
- DTXSID
DTXSID601033533- UNII
- 369V94Y7E9
- EC Number
- 201-311-6
- Nikkaji
- J30.517K、J877.309B
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 109 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 287
실험 및 물리화학적 성질
물리화학적 성질
- 밀도
- 1.637 · 1.637
- 산도 계수 (pKa)
- -1.43 · -1.43±0.18(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- Light orange to Yellow to Green
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 92.5% (37 of 40) of all reports.
Not Classified
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· 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.
DOT Hazard Classification
Nitrobenzenesulfonic acid
UN2305
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Hazard Classes and Categories
Not Classified
Corrosives
안전 및 보호
Accidental Release Measures
· 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
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Immediate precautionary measure
안전 데이터
- ridadr
- UN 2305
- HS 번호
- 2904.99.4700
- risk_code
- 34-41
- safety_code
- 26-36/37/39
- 포장분류
- II
- 위험 등급
- 8
화학 및 산업
제조 방법
생산 방법2-Chloronitrobenzene is reacted with sodium disulfide at 80 ℃ in aqueous ethanol to give 2,2' -dinitrodiphenyl disulfide, which is isolated and treated with chlorine in mineral acid medium in the presence of nitric acid to produce 2-nitrobenzenesulfonyl chloride by oxidative chlorination. This is hydrolyzed in dilute alkali, and the liquor of the resulting 2-Nitrobenzenesulfonic Acid is reduced with Fe – acid or H2 – catalyst to orthanilic acid [88-21-1], an important diazo component in reactive dyes for cotton.
상·하류 제품 정보
상류 원료
하류 제품
공급사2 곳
관련 반응
연결된 노트
불러오는 중…