4-브로모-2-(트리플루오로메틸)벤젠술포닐클로라이드

4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride

HCID 2778608

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 176225-10-8
표준 SMILES: O=S(=O)(Cl)c1ccc(Br)cc1C(F)(F)F
InChIKey: YFXYEMZYOMNQLD-UHFFFAOYSA-N
분자식: C7H3BrClF3O2S
평균 분자량: 323.52 g/mol
단동위원소 질량: 321.86777478

이름 및 식별자

우선 이름: 4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride
IUPAC: 4-bromo-2-(trifluoromethyl)benzenesulfonyl chloride
현지명: 4-브로모-2-(트리플루오로메틸)벤젠술포닐클로라이드
영어명: 4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride
분자식: C7H3BrClF3O2S
분자량: 323.52

이름 및 동의어

176225-10-84-Bromo-2-(trifluoromethyl)benzenesulfonyl chlorideDTXSID00381028RefChem:290663DTXCID80332053625-767-44-bromo-2-(trifluoromethyl)benzene-1-sulfonyl chlorideMFCD03094392Benzenesulfonyl chloride, 4-bromo-2-(trifluoromethyl)-4-bromo-2-(trifluoromethyl)benzene sulphonyl chloride4-bromo-2-(trifluoromethyl)benzenesulfonylchloride4-bromo-2-trifluoromethylbenzenesulfonyl chloride

이름 더 보기

4-브로모-2-(트리플루오로메틸)벤젠술포닐클로라이드BUTTPARK 99\11-484-Bromo-2-(trifluoro4-Bromo-2-(trifluoromet4-Bromo-2-(trifluoromethyl)benzene chlor5-Bromo-2-(chlorosulphonyl)benzotrifluoride4-bromo-2-(trifluoromethyl)phenylsulfonyl chloride-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride4-Bromo-2-(trifluoromethyl)benzene chlorosulphonamide

SCHEMBL6955644-bromo-2-(trifluoromethyl)benzenesulphonyl chlorideSCHEMBL29843259SBB063778AKOS005254442AS-9714CS-W011989SY026730

데이터베이스 식별자

CAS: 176225-10-8
PubChem CID: 2778608
DTXSID: DTXSID00381028
EC Number: 625-767-4

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

녹는점: 54 · 54-58 °C (lit.)
끓는 점: 285.6 · 285.6±40.0 °C(Predicted)
밀도: 1.84 · 1.840±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 결정성 분말
색상: Faint yellow to light orange
InChI: 1S/C7H3BrClF3O2S/c8-4-1-2-6(15(9,13)14)5(3-4)7(10,11)12/h1-3H
InChIKey: YFXYEMZYOMNQLD-UHFFFAOYSA-N
SMILES: FC(F)(F)c1cc(Br)ccc1S(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, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.