1-(2-Bromoethyl)-4-chlorobenzene

HCID 23029CAS 6529-53-9

기본 정보

표준 SMILES: Clc1ccc(CCBr)cc1
InChIKey: YAFMYKFAUNCQPU-UHFFFAOYSA-N
분자식: C8H8BrCl
평균 분자량: 219.5 g/mol
단동위원소 질량: 217.94979004

이름 및 식별자

우선 이름: 1-(2-Bromoethyl)-4-chlorobenzene
IUPAC: 1-(2-bromoethyl)-4-chlorobenzene
영어명: 4-Chlorophenethyl bromide 97
분자식: C8H8BrCl
분자량: 219.51

이름 및 동의어

1-(2-BROMOETHYL)-4-CHLOROBENZENE6529-53-94-Chlorophenethyl bromideBenzene, 1-(2-bromoethyl)-4-chloro-1-Bromo-2-(4-chlorophenyl)ethanep-Chlorophenethyl bromidep-Chloro-.beta.-phenethyl bromide2-(p-Chlorophenyl)ethyl bromideDTXSID80215635RefChem:74080p-Chloro-beta-phenethyl bromideDTXCID10138126

이름 더 보기

4-chlorophenethylebromide4-Chlorophenethyl broMide 97%4-Chlorophenethyl bromide 974-Chlorophenethyl bromide, 95%,

613-774-5YAFMYKFAUNCQPU-UHFFFAOYSA-N2-(4-chlorophenyl)ethylbromideMFCD006342712-(4-chlorophenyl)ethyl bromideSCHEMBL3141674-Chlorophenethyl bromide, 97%2-(4'-chlorophenyl)ethyl bromide

데이터베이스 식별자

CAS: 6529-53-9
PubChem CID: 23029
DTXSID: DTXSID80215635
EC Number: 613-774-5
Nikkaji: J105.413I

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 87.3

물리화학적 성질

끓는 점: 76 · 76-78 °C0.3 mm Hg(lit.)
밀도: 1.508 g/mL · 1.5080 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5715(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
색상: 무색~황색
InChI: 1S/C8H8BrCl/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
InChIKey: YAFMYKFAUNCQPU-UHFFFAOYSA-N
SMILES: Clc1ccc(CCBr)cc1
NIST: 1 · 1-Bromo-2-(4-chlorophenyl)ethane(6529-53-9)

화학적 성질

Pale yellow oil

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.