2-Bromo-5-(trifluoromethyl)benzene-1-sulfonyl chloride

HCID 2778613CAS 176225-08-4

기본 정보

표준 SMILES: O=S(=O)(Cl)c1cc(C(F)(F)F)ccc1Br
InChIKey: CBIFOAHDKKGDAC-UHFFFAOYSA-N
분자식: C7H3BrClF3O2S
평균 분자량: 323.52 g/mol
단동위원소 질량: 321.86777478

이름 및 식별자

우선 이름: 2-Bromo-5-(trifluoromethyl)benzene-1-sulfonyl chloride
IUPAC: 2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride
영어명: 2-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride
분자식: C7H3BrClF3O2S
분자량: 323.51

이름 및 동의어

2-bromo-5-(trifluoromethyl)benzene-1-sulfonyl chlorideRefChem:466749624-913-4176225-08-42-Bromo-5-(trifluoromethyl)benzenesulfonyl chlorideMFCD030943952-bromo-5-(trifluoromethyl)benzenesulfonylchloride2-Bromo-5-(Trifluoromethyl)Benzenesulphonyl ChlorideBenzenesulfonyl chloride, 2-bromo-5-(trifluoromethyl)-SCHEMBL310121EN300-896902-Bromo-5-trifluoromethyl-benzenesulfonyl chloride

이름 더 보기

2-BROMO-5-(TRIFLUOROMETHYL)BENZENESULFO&4-Bromo-3-(chlorosulphonyl)benzotrifluoride2-BRMO-5-(TRIFLUOROMETHYL)BENZENESULFONYL C2-BROMO-5-(TRIFLUOROMETHYL)BENZENESULPHONYL CHLORIDE 97%4-Bromo-3-(chlorosulphonyl)benzotrifluoride, 4-Bromo-3-(chlorosulphonyl)-alpha,alpha,alpha-trifluorotoluene

2-bromo-5-(trifluoromethyl)benzene sulfonyl chlorideAMY29662-bromo-5-(trifluorA812161SCHEMBL30214735DTXSID90381032AKOS009145587SY063871

데이터베이스 식별자

CAS: 176225-08-4
PubChem CID: 2778613
DTXSID: DTXSID90381032
EC Number: 624-913-4
Nikkaji: J2.918.444E

물성

구조 계산 물성

XLogP: 3.5
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: 324

물리화학적 성질

끓는 점: 230 · 230-231 °C (lit.)
밀도: 1.854 g/mL · 1.854 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D >1.5290(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: fused / liquid solid
색상: Pale lemon
InChI: 1S/C7H3BrClF3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H
InChIKey: CBIFOAHDKKGDAC-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc(Br)c(c1)S(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 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.