(3,4-Dichlorophenyl)methanesulfonyl chloride

HCID 2794622

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 85952-30-3
표준 SMILES: O=S(=O)(Cl)Cc1ccc(Cl)c(Cl)c1
InChIKey: DRYGYFAFCNDLEJ-UHFFFAOYSA-N
분자식: C7H5Cl3O2S
평균 분자량: 259.5 g/mol
단동위원소 질량: 257.90758344

이름 및 식별자

우선 이름: (3,4-Dichlorophenyl)methanesulfonyl chloride
IUPAC: (3,4-dichlorophenyl)methanesulfonyl chloride
영어명: (3,4-Dichloro-phenyl)-methanesulfonyl chloride
분자식: C7H5Cl3O2S
분자량: 259.54

이름 및 동의어

85952-30-3(3,4-Dichlorophenyl)methanesulfonyl chlorideDTXSID803832673,4-dichlorophenylmethanesulfonyl chlorideRefChem:399284DTXCID00334291635-944-8(3,4-Dichloro-phenyl)-methanesulfonyl chlorideMFCD016319293,4-Dichlorobenzylsulfonyl chloride(3,4-Dichlorophenyl)-methanesulfonyl chloride[(3,4-dichlorophenyl)methyl]sulfonyl chloride

이름 더 보기

3,4-Dichlorobenzylsulfonyl chloride techichloro-phenyl)-methanesulfonyl chloride3,4-Dichlorobenzylsulphonyl chloride tech3,4-Dichloro-alpha-toluenesulfonyl chlorideBENZENEMETHANESULFONYLCHLORIDE,3,4-DICHLORO3,4-Dichlorobenzenemethanesulfonyl chloride[(3,4-dichlorophenyl)methyl]sulphonyl chloride

benzenemethanesulfonyl chloride, 3,4-dichloro-(3,4-Dichlorophenyl)methanesulphonyl chloride[(3,4-dichlorophenyl)methyl]chlorosulfoneSCHEMBL271305DRYGYFAFCNDLEJ-UHFFFAOYSA-NALBB-027030AR2927GEO-01002

데이터베이스 식별자

CAS: 85952-30-3
PubChem CID: 2794622
DTXSID: DTXSID80383267
EC Number: 635-944-8

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 259

물리화학적 성질

녹는점: 65 °C · 65 °C
끓는 점: 353.1 · 353.1±32.0 °C(Predicted)
밀도: 1.601 · 1.601±0.06 g/cm3(Predicted)
물리적 상태: 결정성 분말
색상: 회백색
InChI: 1S/C7H5Cl3O2S/c8-6-2-1-5(3-7(6)9)4-13(10,11)12/h1-3H,4H2
InChIKey: DRYGYFAFCNDLEJ-UHFFFAOYSA-N
SMILES: Clc1ccc(CS(Cl)(=O)=O)cc1Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.