2-Cyanobenzenesulfonyl Chloride

HCID 522347CAS 69360-26-5

기본 정보

표준 SMILES: N#Cc1ccccc1S(=O)(=O)Cl
InChIKey: NQAYCMBZPAARNO-UHFFFAOYSA-N
분자식: C7H4ClNO2S
평균 분자량: 201.63 g/mol
단동위원소 질량: 200.96512705

이름 및 식별자

우선 이름: 2-Cyanobenzenesulfonyl Chloride
IUPAC: 2-cyanobenzenesulfonyl chloride
영어명: 2-Cyanobenzenesulphonyl chloride
분자식: C7H4ClNO2S
분자량: 201.63

이름 및 동의어

2-Cyanobenzenesulfonyl chloride69360-26-5DTXSID70334925RefChem:86578DTXCID50286014627-774-8NQAYCMBZPAARNO-UHFFFAOYSA-N2-cyanobenzene-1-sulfonyl chloride2-Cyanobenzenesulphonyl chlorideMFCD000523412-cyanobenzenesulfonylchlorideSCHEMBL489976

이름 더 보기

BUTTPARK 33\11-762-Cyanobenzenesulpho2-Cyanobenzene-1-suL2-Cyanobenzenesulphonylchloro-Cyanobenzenesulfonyl ChlorideBenzenesulfonyl chloride, 2-cyano-

2-cyanobenzene sulfonyl chloride2-Cyanobenzenesulfonyl chloride, 98%C1811F2167-00722-cyanophenylsulfonyl chloride2-Cyanobenzensulfonyl chloride2-Cyanobenzensulfonyl chcyanobenzenesulfonyl chloride

데이터베이스 식별자

CAS: 69360-26-5
PubChem CID: 522347
DTXSID: DTXSID70334925
ChEMBL: CHEMBL5022894
EC Number: 627-774-8
Nikkaji: J2.792.351H

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 66.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 297

물리화학적 성질

녹는점: 65 · 65-69 °C (lit.)
끓는 점: 350.9 · 350.9±25.0 °C(Predicted)
밀도: 1.53 · 1.53±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
색상: White to Light yellow to Light orange
BRN: 2721588 · 2721588
InChI: 1S/C7H4ClNO2S/c8-12(10,11)7-4-2-1-3-6(7)5-9/h1-4H
InChIKey: NQAYCMBZPAARNO-UHFFFAOYSA-N
SMILES: ClS(=O)(=O)c1ccccc1C#N
NIST: 2 · 2-Cyanobenzenesulfonyl chloride(69360-26-5)

화학적 성질

beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (10.6%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (10.6%)

안전 데이터

wgk: 3
ridadr: UN 1759 8/PG 2
HS 번호: 29269090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도2-Cyanobenzenesulfonyl chloride may be used in the synthesis of:2-butyl-5-(2-cyanophenyl)furan2-(2-cyanophenyl)-3,6-dimethyl-4,5,6,7-tetrahydrobenzofuran5-thia-4b,10-diaza-indeno[2,1-a]indene-5,5-dioxide1-methyl-2-(2-cyanophenyl)pyrrole