4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene

HCID 67959CAS 445-01-2

기본 정보

표준 SMILES: FC(F)(F)c1cc(Br)ccc1Cl
InChIKey: XGOCKBMEZPNDPJ-UHFFFAOYSA-N
분자식: C7H3BrClF3
평균 분자량: 259.45 g/mol
단동위원소 질량: 257.90587454

이름 및 식별자

우선 이름: 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene
IUPAC: 4-bromo-1-chloro-2-(trifluoromethyl)benzene
영어명: 5-Bromo-2-chlorobenzotrifluoride
분자식: C7H3BrClF3
분자량: 259.45

이름 및 동의어

5-Bromo-2-chlorobenzotrifluoride445-01-2EINECS 207-149-24-Bromo-2-chloro-alpha,alpha,alpha-trifluorotolueneDTXSID20196196RefChem:519614DTXCID30118687207-149-24-Bromo-1-chloro-2-(trifluoromethyl)benzeneBenzene, 4-bromo-1-chloro-2-(trifluoromethyl)-MFCD00000601XGOCKBMEZPNDPJ-UHFFFAOYSA-

이름 더 보기

CL0265-Bromo-2-chlorotrifluoride2-Chloro-5-bromotrifluorotolue3-BROMO-6-CHLOROBENZOTRIFLUORIDE2-CHLORO-5-BROMO BENZOTRIFLUORIDE5-BROMO-2-CHLORO-BENZENETRIFLUORIDE5-Bromo-2-chlorobenzotrifluoride98%5-Bromo-2-chlorobenzotrifluoride 98%5-Bromo-2-chloro-,,-trifluorotoluene

5-bromo-2-chloro-benzotrifluorideAKOS005258117SY018004EN300-2272024-Bromo-1-chloro-2-(trifluoromethyl)benzene #5-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene4-bromo-1-chloro-2-trifluoromethylbenzeneAM20060281

데이터베이스 식별자

CAS: 445-01-2
PubChem CID: 67959
DTXSID: DTXSID20196196
UNII: RK6Y7PY8S9
EC Number: 207-149-2
Nikkaji: J196.134I

물성

구조 계산 물성

XLogP: 4.8
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 159

물리화학적 성질

녹는점: -21 °C · -21°C
끓는 점: 76 · 76-81 °C (11 mmHg)
밀도: 1.745 g/mL · 1.745 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.507(lit.)
인화점: 178 °F · 178 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.745 · 1.745
색상: 맑은 연한 노란색
BRN: 2098752 · 2098752
InChI: 1S/C7H3BrClF3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
InChIKey: XGOCKBMEZPNDPJ-UHFFFAOYSA-N
SMILES: FC(F)(F)c1cc(Br)ccc1Cl
NIST: 4 · Benzene, 4-bromo-1-chloro-2-(trifluoromethyl)-(445-01-2)

화학적 성질

Clear pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.