Benzoyl chloride, 3-(chlorosulfonyl)-

HCID 77671CAS 4052-92-0

기본 정보

표준 SMILES: O=C(Cl)c1cccc(S(=O)(=O)Cl)c1
InChIKey: XWEBTVZIZWEJOO-UHFFFAOYSA-N
분자식: C7H4Cl2O3S
평균 분자량: 239.07 g/mol
단동위원소 질량: 237.92582035

이름 및 식별자

우선 이름: Benzoyl chloride, 3-(chlorosulfonyl)-
IUPAC: 3-chlorosulfonylbenzoyl chloride
영어명: 3-(Chlorosulfonyl)benzoyl chloride
분자식: C7H4Cl2O3S
분자량: 239.08

이름 및 동의어

3-(Chlorosulfonyl)benzoyl chloride4052-92-0Benzoyl chloride, 3-(chlorosulfonyl)-m-(Chlorosulfonyl)benzoyl chlorideEINECS 223-759-1DTXSID6063278RefChem:118772DTXCID0039772Benzoyl chloride, m-(chlorosulfonyl)-(7CI,8CI)XWEBTVZIZWEJOO-UHFFFAOYSA-N3-chlorosulfonylbenzoyl chlorideBenzoyl chloride,3-(chlorosulfonyl)-

이름 더 보기

m-(chlorosulfonyl)-benzoylchlorid3-(chlorosulfonyl)-benzoylchlorid3-(Chlorosulfonyl)benzoyl chloride,98%3-chlorosulfonylacylbenzeneformylchloro3-(Chlorosulfonyl)benzoic acid chloride3-(Chlorosulfonyl)benzoyl chloride, 98% 25GR3-(Chlorocarbonyl)benzenesulfonic acid chloride

MFCD00051352C7H4Cl2O3S3-Chlorosulphonylbenzoyl chloride3-Chlorosulfonyl-benzoyl chloride5HD5WYV4DASCHEMBL35218SCHEMBL305250203-(chlorosulfonyl)benzoylchloride

데이터베이스 식별자

CAS: 4052-92-0
PubChem CID: 77671
DTXSID: DTXSID6063278
UNII: 5HD5WYV4DA
EC Number: 223-759-1
Nikkaji: J217.865F

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 59.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 293

물리화학적 성질

녹는점: 18 · 18-20 °C
끓는 점: 170 · 170-175 °C(Press: 15 Torr)
밀도: 1.567 · 1.567±0.06 g/cm3 (20 ºC 760 Torr)
굴절률: 1.578 · 1.578-1.58
물리적 상태: 녹은 후에 액체
색상: 맑은 노란색
InChI: 1S/C7H4Cl2O3S/c8-7(10)5-2-1-3-6(4-5)13(9,11)12/h1-4H
InChIKey: XWEBTVZIZWEJOO-UHFFFAOYSA-N
SMILES: ClC(=O)c1cccc(c1)S(Cl)(=O)=O
EPA: 3 · Benzoyl chloride, 3-(chlorosulfonyl)- (4052-92-0)

화학적 성질

CLEAR YELLOW LIQUID AFTER MELTING

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: WGK 3
tsca: TSCA listed
HS 번호: 29309090
risk_code: 36/37/38-22-36
hazard_code: Xn,Xi
safety_code: 37/39-26
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects