5-Chloro-2,4-difluorobenzenesulphonyl chloride

HCID 2773527

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13656-57-0
표준 SMILES: O=S(=O)(Cl)c1cc(Cl)c(F)cc1F
InChIKey: XMNXVDULKLCZFG-UHFFFAOYSA-N
분자식: C6H2Cl2F2O2S
평균 분자량: 247.05 g/mol
단동위원소 질량: 245.9120621

이름 및 식별자

우선 이름: 5-Chloro-2,4-difluorobenzenesulphonyl chloride
IUPAC: 5-chloro-2,4-difluorobenzenesulfonyl chloride
영어명: 5-Chloro-2,4-difluorobenzenesulfonyl chloride
분자식: C6H2Cl2F2O2S
분자량: 247.05

이름 및 동의어

5-chloro-2,4-difluorobenzenesulfonyl chloride5-chloro-2,4-difluorobenzenesulphonyl chlorideRefChem:534365638-922-613656-57-05-Chloro-2,4-difluorobenzenesulfonylchloride5-CHLORO-2,4-DIFLUOROBENZENE-1-SULFONYL CHLORIDEMFCD01940426Benzenesulfonyl chloride, 5-chloro-2,4-difluoro-5-chloro-2,4-difluoro-benzenesulfonyl Chloridechloro(5-chloro-2,4-difluorophenyl)sulfoneSCHEMBL320432

이름 더 보기

BUTTPARK 25\07-375-Chloro-2,4-difluorobenzenesulphonylchlo5-Chloro-2,4-difluorophenylsulfonyl chloride5-chloro-2,4-difluoro benzensulfonylchloride5-Chlro-2,4-Difluorobenzenesulfonyl Chloride3-Chloro-4,6-difluorobenzenesulfonyl chloride5-CHLORO-2,4-DIFLUOROBENZEN SULPHONYL CHLORIDEBenzenesulfonyl chloride,5-chloro-2,4-difluoro-

SCHEMBL29669007SCHEMBL29669013DTXSID70378526XMNXVDULKLCZFG-UHFFFAOYSA-NSBB066466AKOS005063800CS-W022344GS-3483

데이터베이스 식별자

CAS: 13656-57-0
PubChem CID: 2773527
DTXSID: DTXSID70378526
EC Number: 638-922-6
Nikkaji: J3.567.859J

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 277

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 44 · 44-45°
끓는 점: 289 ℃ · 289℃
밀도: 1.686 · 1.686
인화점: 129 ℃ · 129℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 결정질 고체
색상: 흰색에서 황백색까지
InChI: InChI=1S/C6H2Cl2F2O2S/c7-3-1-6(13(8,11)12)5(10)2-4(3)9/h1-2H
InChIKey: XMNXVDULKLCZFG-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=CC(Cl)=C(F)C=C1F

화학적 성질

Colorless Transparent Liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.