3-Bromo-4-fluorobenzotrifluoride

HCID 144295CAS 68322-84-9

기본 정보

표준 SMILES: Fc1ccc(C(F)(F)F)cc1Br
InChIKey: RZJOIMPUMMQKFR-UHFFFAOYSA-N
분자식: C7H3BrF4
평균 분자량: 243 g/mol
단동위원소 질량: 241.93542508

이름 및 식별자

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

이름 및 동의어

3-Bromo-4-fluorobenzotrifluoride68322-84-9DTXSID80218469RefChem:93159DTXCID50140960670-900-1RZJOIMPUMMQKFR-UHFFFAOYSA-N2-Bromo-1-fluoro-4-(trifluoromethyl)benzeneMFCD000409382-Fluoro-5-(trifluoromethyl)bromobenzeneBENZENE, 2-BROMO-1-FLUORO-4-(TRIFLUOROMETHYL)-3-Bromo-alpha,alpha,alpha,4-tetrafluorotoluene

이름 더 보기

3-bromo-4-trifluorotoluene3-Bromo-4-fluorobenzotrifluori3-BroMo-4-fluoro trifluoroMethyl3-Bromo-4-fluorotrifluorotoluene3-Bromo-α,α,α,4-tetrafluorotoluene3-Bromo-4-fluorobenzotrifluoride97%3-Bromo-4-fluorobenzotrifluoride 97%

SCHEMBL283936SCHEMBL297629634-Fluoro-3-bromobenzotrifluorideCK2332SBB099648AKOS005255557AC-4113CS-W010271

데이터베이스 식별자

CAS: 68322-84-9
PubChem CID: 144295
DTXSID: DTXSID80218469
EC Number: 670-900-1
Nikkaji: J235.999E

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: 148 · 148-149 °C (lit.)
밀도: 1.706 g/mL · 1.706 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.459(lit.)
인화점: 161 °F · 161 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: Colorless to Light orange to Yellow
Specific Gravity: 1.71 · 1.710
BRN: 2093911 · 2093911
InChI: 1S/C7H3BrF4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H
InChIKey: RZJOIMPUMMQKFR-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1Br)C(F)(F)F
NIST: 3 · 3-Bromo-4-fluorobenzotrifluoride(68322-84-9)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H227 (12.5%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.