4-Bromo-2-chloro-1-fluorobenzene

HCID 3543065CAS 60811-21-4

기본 정보

표준 SMILES: Fc1ccc(Br)cc1Cl
InChIKey: CJTIWGBQCVYTQE-UHFFFAOYSA-N
분자식: C6H3BrClF
평균 분자량: 209.44 g/mol
단동위원소 질량: 207.9090681

이름 및 식별자

우선 이름: 4-Bromo-2-chloro-1-fluorobenzene
IUPAC: 4-bromo-2-chloro-1-fluorobenzene
영어명: 4-Bromo-2-chloro-1-fluorobenzene
분자식: C6H3BrClF
분자량: 209.44

이름 및 동의어

4-Bromo-2-chloro-1-fluorobenzene4-Bromo-2-chlorofluorobenzeneDTXSID20393481EC 405-580-2RefChem:519589DTXCID10344341405-580-2612-037-560811-21-41-Bromo-3-chloro-4-fluorobenzene3-chloro-4-fluorobromobenzene4-bromo-2-chloro-1-fluoro-benzene

이름 더 보기

3-Chloro-4-fluorobenzobromide3-Chloro-4-fluorobromobenzene 98%oro-1-fLAKOS 919873-chloro-4-fluorobroMobezene1-Bromo-3-chloro-4-fluorobenze

MFCD000517943-Chloro-4-fluorobenzene bromideBenzene, 4-bromo-2-chloro-1-fluoro-4-bromo-2-chloro-fluorobenzeneSCHEMBL3306953-chloro-4-fluoro-bromobenzeneSCHEMBL1096957SCHEMBL23531228

데이터베이스 식별자

CAS: 60811-21-4
PubChem CID: 3543065
DTXSID: DTXSID20393481
EC Number: 405-580-2、612-037-5
Nikkaji: J1.424.727K

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 99.1

물리화학적 성질

끓는 점: 194 °C · 194 °C(lit.)
밀도: 1.727 g/mL · 1.727 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.553(lit.)
인화점: 192 °F · 192 °F
물리적 상태: 투명한 액체
색상: 무색~연황색
Specific Gravity: 1.727 · 1.727
BRN: 2206652 · 2206652
InChI: 1S/C6H3BrClF/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKey: CJTIWGBQCVYTQE-UHFFFAOYSA-N
SMILES: Fc1ccc(Br)cc1Cl

화학적 성질

clear yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 02-12-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/9114

Hazard Classes and Categories · 4건

Acute Tox. 4 (100%)

Acute Tox. 4 (97.7%)

Acute toxicity - category 4

Acute Tox. 4 *

안전 데이터

wgk: 3
ridadr: UN 3082 9/PG 3
HS 번호: 29039990
risk_code: 22-38-50/53
hazard_code: Xn,N,Xi
safety_code: 26-36/37-60-61
포장분류: III
위험 등급: 9
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids