2-Nitrobenzenesulfonyl chloride (HCID 15540)

이름 및 식별자

우선 이름: 2-Nitrobenzenesulfonyl chloride
IUPAC: 2-nitrobenzenesulfonyl chloride
영어명: 2-Nitrobenzenesulfonyl chloride
분자식: C6H4ClNO4S
분자량: 221.62

이름 및 동의어

2-Nitrobenzenesulfonyl chloride1694-92-4o-Nitrophenylsulfonyl chlorideBenzenesulfonyl chloride, 2-nitro-2-Nitrobenzenesulphonyl chlorideBenzenesulfonyl chloride, o-nitro-P2E4YZ9H2YNSC-12991DTXSID4061888RefChem:477194DTXCID3035424216-907-1

이름 더 보기

o-Ns-Cl2-NitrobenzenesuLo-Nitro Sulfo Chloride2-Nitro-benzenesulfonylOrtho Nitro Sulfo Chlorideo-Nitro Benzene Sulfo Chloride2-nitro-benzenesulfonylchlorid

2-nitrobenzene-1-sulfonyl chlorideo-Nitrobenzenesulfonyl chloride2-nitro-benzenesulfonyl chlorideBenzenesulfonyl chloride, nitro-MFCD000074302-nitrophenylsulfonyl chloridechloro(2-nitrophenyl)sulfone2-Nitrobenzenesulfonylchloride

데이터베이스 식별자

CAS: 1694-92-4
PubChem CID: 15540
DTXSID: DTXSID4061888
UNII: P2E4YZ9H2Y
EC Number: 216-907-1
Nikkaji: J62.947B

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 88.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 291

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

SpringerMaterials PropertiesCrystal structure

Physical DescriptionLight yellow crystalline solid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 63 · 63-67 °C(lit.)
끓는 점: 350.6 · 350.6±25.0 °C(Predicted)
밀도: 1.606 · 1.606±0.06 g/cm3(Predicted)
저장 조건: 30 °C · Store below +30°C.
물리적 상태: powder to crystal
색상: 흰색에서 노란색, 주황색으로
수용성: 톨루엔, 테트라히드로푸란, 염화메틸렌, 에틸 아세테이트 및 디메틸포름아미드에 용해됩니다. 물에 불용성.
BRN: 521155 · 521155
InChI: InChI=1S/C6H4ClNO4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H
InChIKey: WPHUUIODWRNJLO-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=CC=CC=C1[N+]([O-])=O
EPA: 2 · Benzenesulfonyl chloride, 2-nitro- (1694-92-4)

화학적 성질

Off-white tot yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (41.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 90 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 01-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29449

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Nitrobenzene and Benzenesulfonyl chloride.

Hazard Classes and CategoriesAcute Tox. 4 (41.1%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
HS 번호: 29049090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 21
위험 참고 사항: Corrosive/Moisture Sensitive
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 4.1A - Other explosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenesulfonyl chloride, 2-nitro-: ACTIVE

응용 분야 · 1건

용도2-Nitrobenzenesulfonyl chloride acts as a reagent to form 2-nitrobenzenesulfonyl derivatives of alcohols and amines. It is also involved in the selective cleavage with thiophenol without displacement of the nitro group. Further, it is used in the preparation of renin inhibitors. In addition to this, it finds application as an anticonvulsant.

제조 방법

생산 방법2-Nitrobenzenesulfonyl chloride is isolated as an intermediate in the production of 2-nitrobenzenesulfonic acid. When 2,2' - dinitrodiphenyl disulfide is chlorinated in an organic solvent the product is 2-nitrophenylsulfenyl chloride.