2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride

HCID 2778611

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 54403-98-4
표준 SMILES: O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1Br
InChIKey: WWEGTYZLWBOTQW-UHFFFAOYSA-N
분자식: C7H3BrClF3O2S
평균 분자량: 323.52 g/mol
단동위원소 질량: 321.86777478

이름 및 식별자

우선 이름: 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride
IUPAC: 2-bromo-4-(trifluoromethyl)benzenesulfonyl chloride
영어명: 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride
분자식: C7H3BrClF3O2S
분자량: 323.51

이름 및 동의어

54403-98-42-Bromo-4-(trifluoromethyl)benzenesulfonyl chlorideRefChem:466469625-995-42-Bromo-4-(trifluoromethyl)benzene-1-sulfonyl chlorideMFCD030943942-bromo-4-(trifluoromethyl)benzene sulphonyl chloride2-bromo-4-(trifluoromethyl)benzenesulfonylchlorideSCHEMBL308729DTXSID30381031AKOS0001803322-Bromo-4-(trifluoromethyl)benzene-1-sulfonylchloride

이름 더 보기

BUTTPARK 146\11-592-BROMO-4-(TRIFLUORO2-Bromo-4-(trifluoromethyl)benzenesulphon3-Bromo-4-(chlorosulphonyl)benzotrifluoride2-broMo-4-(trifluoroMethoxy)benzenesulfonyl chloride2-Bromo-4-(trifluoromethyl)benzenesulphonylchloride97%

2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride, 97%Benzenesulfonyl chloride, 2-bromo-4-(trifluoromethyl)-A8301622-bromo-4-(trifluoromethyl)benzenesulphonyl chlorideBBL100407SBB066553PB48426AS-42649

데이터베이스 식별자

CAS: 54403-98-4
PubChem CID: 2778611
DTXSID: DTXSID30381031
EC Number: 625-995-4

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

끓는 점: 235 · 235-236 °C(lit.)
밀도: 1.865 g/mL · 1.865 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5270(lit.)
인화점: 95 °F · 95 °F
물리적 상태: 융합된 고체
Specific Gravity: 1.865 · 1.865
색상: Off-white to faint beige
InChI: 1S/C7H3BrClF3O2S/c8-5-3-4(7(10,11)12)1-2-6(5)15(9,13)14/h1-3H
InChIKey: WWEGTYZLWBOTQW-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc(c(Br)c1)S(Cl)(=O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (89.1%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, 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.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (89.1%)

안전 데이터

wgk: 3
ridadr: UN 2920 8/PG 2
HS 번호: 29049090
risk_code: 10-34
hazard_code: C,Xi
safety_code: 26-27-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride may be used to synthesize butyl (E)-3-[2-bromo-4-(trifluoromethyl)phenyl]acrylate and 1-benzyl-2-(2-bromo-4-(trifluoromethyl)phenyl)indole.