2-Chloro-6-fluorobenzyl bromide

HCID 2773625

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기본 정보

CAS: 68220-26-8
표준 SMILES: Fc1cccc(Cl)c1CBr
InChIKey: IGUVNNXFTDCASP-UHFFFAOYSA-N
분자식: C7H5BrClF
평균 분자량: 223.47 g/mol
단동위원소 질량: 221.92471816

이름 및 식별자

우선 이름: 2-Chloro-6-fluorobenzyl bromide
IUPAC: 2-(bromomethyl)-1-chloro-3-fluorobenzene
영어명: 2-Chloro-6-fluorobenzyl bromide
분자식: C7H5BrClF
분자량: 223.47

이름 및 동의어

2-Chloro-6-fluorobenzyl bromide68220-26-8Benzene, 2-(bromomethyl)-1-chloro-3-fluoro-DTXSID70378602RefChem:469636DTXCID20329629626-511-42-(bromomethyl)-1-chloro-3-fluorobenzeneMFCD000401262-bromomethyl-1-chloro-3-fluoro-benzene2-(bromomethyl)-1-chloro-3-fluoro-benzene2-(bromomethyl)-3-chloro-1-fluorobenzene

이름 더 보기

2-Chloro-6-Florobenzyl Bromideà-bromo-2-chloro-6-fluorotolueneA-BROMO-2-CHLORO-6-FLUOROTOLUENE2-Chloro-6-fluorobenzyl Bromide >2-Chloro-6-fluorobenzyl bromide 97%ALPHA-BROMO-2-CHLORO-6-FLUOROTOLUENE2-Chloro-6-fluorobenzyl bromide, 97+%1-(Bromomethyl)-2-chloro-6-fluorobenzene

SCHEMBL4706SCHEMBL297131442-chloro-6-fluoro-benzyl bromideSBB070820AKOS000446900CS-W0142291-bromomethyl-2-chloro-6-fluorobenzene2-bromomethyl-1-chloro-3-fluorobenzene

데이터베이스 식별자

CAS: 68220-26-8
PubChem CID: 2773625
DTXSID: DTXSID70378602
EC Number: 626-511-4
Nikkaji: J308.932K

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

물리화학적 성질

끓는 점: 222 · 222.0±25.0 °C(Predicted)
밀도: 1.629 g/mL · 1.629 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.568(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 무색~황색
InChI: 1S/C7H5BrClF/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKey: IGUVNNXFTDCASP-UHFFFAOYSA-N
SMILES: Fc1cccc(Cl)c1CBr

화학적 성질

Colorless to dark yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (14.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, 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.

유해성 정보

Regulatory InformationBenzene, 2-(bromomethyl)-1-chloro-3-fluoro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Corr. 1B (14.9%)

안전 데이터

wgk: 3
ridadr: 3265
HS 번호: 29039990
risk_code: 36/37/38
hazard_code: Xi,C
safety_code: 26-36/37-37/39
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive/Lachrymatory
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2-Chloro-6-fluorobenzyl bromide [2-(bromomethyl)-1-chloro-3-fluorobenzene] may be used in the synthesis of 4-chlorobenzoimidazo[1,2-a][3,1]benzothiazine.