2-Trifluoromethylbenzenesulphonyl chloride

HCID 136616

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 776-04-5
표준 SMILES: O=S(=O)(Cl)c1ccccc1C(F)(F)F
InChIKey: ZIZGWNOAHUCACM-UHFFFAOYSA-N
분자식: C7H4ClF3O2S
평균 분자량: 244.62 g/mol
단동위원소 질량: 243.95726271

이름 및 식별자

우선 이름: 2-Trifluoromethylbenzenesulphonyl chloride
IUPAC: 2-(trifluoromethyl)benzenesulfonyl chloride
영어명: 2-(Trifluoromethyl)benzenesulfonyl chloride
분자식: C7H4ClF3O2S
분자량: 244.62

이름 및 동의어

2-(Trifluoromethyl)benzenesulfonyl chloride776-04-52-Trifluoromethylbenzenesulphonyl chlorideDTXSID00228262EC 700-328-0RefChem:89511DTXCID20150753700-328-0ZIZGWNOAHUCACM-UHFFFAOYSA-N2-(Trifluoromethyl)Benzene-1-Sulfonyl Chloride2-Trifluoromethylbenzenesulfonyl chlorideBenzenesulfonyl chloride, 2-(trifluoromethyl)-

이름 더 보기

BUTTPARK 97\57-90AKOS BBS-000069722-(Trifluoromethyl)Benz2-(trifluoroMethyl)benzene2-(Chlorosulphonyl)benzotrifluoride2-(TRIFLUOROMETHYL)BENZENESULFONYL CHLOR2-(TrifluoroMethyl)benzenesulfonyl chlorid2-(rifluoromethyl)benzenesulfonyl chloride2-(trifluoroMethyl)benzene sulfonyl chlorie

MFCD00051696o-(trifluoromethyl)benzenesulfonyl chloride2-(trifluoromethyl)benzenesulphonyl chloride2-(trifluoromethyl)-benzenesulfonyl chloride2-(trifluoromethyl)benzene-1-sulfonylchloridechloro[2-(trifluoromethyl)phenyl]sulfone2-(trifluoromethyl)phenylsulfonyl chloride2-(trifluoromethyl) benzenesulfonyl chloride

데이터베이스 식별자

CAS: 776-04-5
PubChem CID: 136616
DTXSID: DTXSID00228262
UNII: RH4NT3SSP4
EC Number: 616-480-5、700-328-0
Nikkaji: J1.943.156H

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 293

실험 및 물리화학적 성질

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

물리화학적 성질

녹는점: 25 °C · 25°C
끓는 점: 133 · 133-135 °C14 mm Hg(lit.)
밀도: 1.585 g/mL · 1.585 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.503(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 yellow to Light orange
Specific Gravity: 1.585 · 1.585
BRN: 2651854 · 2651854
InChI: InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKey: ZIZGWNOAHUCACM-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=CC=CC=C1C(F)(F)F
NIST: o-Trifluoromethylbenzenesulfonyl chloride(776-04-5)

화학적 성질

clear colorless to yellow 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, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 88 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.