4-클로로-3-(트리플루오로메틸)벤젠술포닐클로라이드

4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride

HCID 2780719

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 32333-53-2
표준 SMILES: O=S(=O)(Cl)c1ccc(Cl)c(C(F)(F)F)c1
InChIKey: SSULGNXFUGLULI-UHFFFAOYSA-N
분자식: C7H3Cl2F3O2S
평균 분자량: 279.06 g/mol
단동위원소 질량: 277.91829036

이름 및 식별자

우선 이름: 4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride
IUPAC: 4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride
현지명: 4-클로로-3-(트리플루오로메틸)벤젠술포닐클로라이드
영어명: 4-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride
분자식: C7H3Cl2F3O2S
분자량: 279.06

이름 및 동의어

32333-53-24-chloro-3-(trifluoromethyl)benzenesulfonyl ChlorideDTXSID40381704RefChem:291621DTXCID70332729672-518-04-chloro-3-(trifluoromethyl)benzene-1-sulfonyl chlorideMFCD000248824-chloro-3-(trifluoromethyl)benzenesulfonylchloride4-chloro-3-trifluoromethylbenzenesulfonyl chloride4-Chloro-3-trifluoromethyl-benzenesulfonyl chloride4-chloro-3-(trifluoromethyl)benzenesulphonyl chloride

이름 더 보기

4-클로로-3-(트리플루오로메틸)벤젠술포닐클로라이드AKOS BBS-00007012BUTTPARK 83\07-194-Chloro-3-(trifluoromethyl)benzenesulfonyl4-Chloro-3-trifluoromethylbenzenesuflonyl chloride4-Chloro-3-(trifluoroMethyl)benzenesulfonyl chlori4-chloro-3-(trifluoromethyl)phenylsulfonyl chlorid4-Chloro-3-(rifluoromethyl)benzenesulfonyl chloride

CX1076C27054-chloro-3-(trifluoromethyl)-benzenesulfonyl chlorideBenzenesulfonyl chloride, 4-chloro-3-(trifluoromethyl)-4-chloro-3-trifluoromethylbenzenesulfonylchloride4-Chloro-3-(trifluoromethyl)phenylsulfonyl chlorideSCHEMBL127681F9995-0333

데이터베이스 식별자

CAS: 32333-53-2
PubChem CID: 2780719
DTXSID: DTXSID40381704
EC Number: 672-518-0
Nikkaji: J429.811J

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 322

물리화학적 성질

녹는점: 28 °C · 28 °C
끓는 점: 83 · 83-84°C/0.1mm
밀도: 1.626 · 1.626±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Yellow
InChI: InChI=1S/C7H3Cl2F3O2S/c8-6-2-1-4(15(9,13)14)3-5(6)7(10,11)12/h1-3H
InChIKey: SSULGNXFUGLULI-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=CC=C(Cl)C(C(F)(F)F)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (14.3%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesMet. Corr. 1 (14.3%)

안전 데이터

ridadr: 3261
HS 번호: 29049090
risk_code: 34-36
hazard_code: C,Xi
safety_code: 26-36/37/39-45-27
포장분류: II
위험 등급: 8
위험 참고 사항: Corrosive

화학 및 산업

응용 분야

개요4-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride is obtained from 2-chloro-α,α,α-trifluorotoluene and chlorosulfuric acid in 65% oleum. The compound is used as an intermediate in the production of pesticides and dyes.