3-클로로-2-FLUOROBENZENESULFONYL염화물

3-Chloro-2-fluorobenzenesulfonyl Chloride

HCID 2778321

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 351003-48-0
표준 SMILES: O=S(=O)(Cl)c1cccc(Cl)c1F
InChIKey: LIRQNYQIFFLGIE-UHFFFAOYSA-N
분자식: C6H3Cl2FO2S
평균 분자량: 229.06 g/mol
단동위원소 질량: 227.92148392

이름 및 식별자

우선 이름: 3-Chloro-2-fluorobenzenesulfonyl Chloride
IUPAC: 3-chloro-2-fluorobenzenesulfonyl chloride
현지명: 3-클로로-2-FLUOROBENZENESULFONYL염화물
영어명: 3-Chloro-2-fluorobenzenesulfonyl chloride
분자식: C6H3Cl2FO2S
분자량: 229.06

이름 및 동의어

3-Chloro-2-fluorobenzenesulfonyl chloride351003-48-0DTXSID90380863RefChem:93396DTXCID20331888624-200-83-Chloro-2-fluorobenzenesulphonyl chloride3-chloro-2-fluorobenzene-1-sulfonyl chloride3-chloro-2-fluoro-benzenesulfonyl ChlorideMFCD03094234Benzenesulfonyl chloride, 3-chloro-2-fluoro-3-chloro-2-fluorophenylsulfonyl chloride

이름 더 보기

3-클로로-2-FLUOROBENZENESULFONYL염화물BUTTPARK 89\07-353-CHLORO-2-FLUOROBEN3-CHLORO-2-FLUOROBENZENSULPHONYL3-CHLORO-2-FLUOROBENZENSULFONYL CHLORIDE3-CHLORO-2-FLUOROBENZENSULPHONYL CHLORIDE3-Chloro-2-fluorobenzenesulfonyl Chloride >3-Chloro-2-fluorobenzenesulfonyl chloride 97%

SCHEMBL532898SCHEMBL30731549LIRQNYQIFFLGIE-UHFFFAOYSA-NSBB066552AKOS009159510chloro(3-chloro-2-fluorophenyl)sulfoneCS-W0082443-chloro-2-fluorobenzenesulfonylchloride

데이터베이스 식별자

CAS: 351003-48-0
PubChem CID: 2778321
DTXSID: DTXSID90380863
EC Number: 624-200-8

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 249

물리화학적 성질

끓는 점: 287 ℃ · 287℃
밀도: 1.584 g/mL · 1.584 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5540(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Light orange to Yellow
수용성: 물에서 가수분해됩니다.
InChI: 1S/C6H3Cl2FO2S/c7-4-2-1-3-5(6(4)9)12(8,10)11/h1-3H
InChIKey: LIRQNYQIFFLGIE-UHFFFAOYSA-N
SMILES: Fc1c(Cl)cccc1S(Cl)(=O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.