4-Bromo-3-fluorobenzotrifluoride

HCID 142414

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 40161-54-4
표준 SMILES: Fc1cc(C(F)(F)F)ccc1Br
InChIKey: XCTQZIUCYJVRLJ-UHFFFAOYSA-N
분자식: C7H3BrF4
평균 분자량: 243 g/mol
단동위원소 질량: 241.93542508

이름 및 식별자

우선 이름: 4-Bromo-3-fluorobenzotrifluoride
IUPAC: 1-bromo-2-fluoro-4-(trifluoromethyl)benzene
영어명: 4-Bromo-3-fluorobenzotrifluoride
분자식: C7H3BrF4
분자량: 243

이름 및 동의어

4-Bromo-3-fluorobenzotrifluoride40161-54-4DTXSID70193170RefChem:98122DTXCID80115661670-303-6XCTQZIUCYJVRLJ-UHFFFAOYSA-N1-bromo-2-fluoro-4-(trifluoromethyl)benzeneBenzene, 1-bromo-2-fluoro-4-(trifluoromethyl)-2-Fluoro-4-(trifluoromethyl)bromobenzeneMFCD000424972-FLUORO-4-TRIFLUOROMETHYLBROMOBENZNE

이름 더 보기

3-fluoro-4-bromotrifluorotoluene3-fluoro-4-bromobenzotrifluoride4-Bromo-3-fluorobenzotrifluoride97%4-Bromo-3-fluorobenzotrifluoride 97%4-Bromo-3-fluorobenzotrifluoride >2-fluoro-4-trifluoromethylbromobenzne4-BROMO-3-FLUOROBENZOTRIFLUORIDE ,98%4-BROMO-3-FLUOROBENZOTRIFLUORIDE, 98.5%

SCHEMBL607667SCHEMBL27554779SCHEMBL29453079CK2326SBB099655AKOS005258448AC-4116CS-W012758

데이터베이스 식별자

CAS: 40161-54-4
PubChem CID: 142414
DTXSID: DTXSID70193170
EC Number: 670-303-6

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 156

물리화학적 성질

끓는 점: 154 · 154-155°C
밀도: 1.72 · 1.72
굴절률: 1.46 · 1.46
인화점: 154 · 154-155°C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
BRN: 2641902 · 2641902
InChI: InChI=1S/C7H3BrF4/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
InChIKey: XCTQZIUCYJVRLJ-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(C(F)(F)F)C=C1F

화학적 성질

liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.