Benzene, ((2-bromoethoxy)methyl)-

HCID 73833CAS 1462-37-9

기본 정보

표준 SMILES: BrCCOCc1ccccc1
InChIKey: FWOHDAGPWDEWIB-UHFFFAOYSA-N
분자식: C9H11BrO
평균 분자량: 215.09 g/mol
단동위원소 질량: 213.99932707

이름 및 식별자

우선 이름: Benzene, ((2-bromoethoxy)methyl)-
IUPAC: 2-bromoethoxymethylbenzene
영어명: Benzyl 2-bromoethyl ether
분자식: C9H11BrO
분자량: 215.09

이름 및 동의어

1462-37-9((2-Bromoethoxy)methyl)benzene[(2-Bromoethoxy)methyl]benzene2-Benzyloxy-1-bromoethaneBENZENE, [(2-BROMOETHOXY)METHYL]-Benzene, ((2-bromoethoxy)methyl)-DTXSID30163298RefChem:562044DTXCID6085789629-202-2Benzyl 2-bromoethyl ether2-bromoethoxymethylbenzene

이름 더 보기

UMECLIDIUM intermediate2-Bromoethylbenzyl ether2- benzyloxy bromoethaneBenzyl 2-bromoethyl ethe1-BENZYLOXY-2-BROMOETHANEbromoethyl-2-benzyl ether

(2-Bromoethoxymethyl)benzeneMFCD01321307Benzyloxyethyl Bromide[(2-Bromoethyloxy)methyl]benzene1-bromo-2-benzyloxyethane1-((2-bromoethoxy)methyl)benzene1-[(2-bromoethoxy)methyl]benzeneBenzyl2-bromoethylether

데이터베이스 식별자

CAS: 1462-37-9
PubChem CID: 73833
DTXSID: DTXSID30163298
UNII: P99PG4EM6M
EC Number: 629-202-2
Nikkaji: J105.287J

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 89.6

물리화학적 성질

끓는 점: 254 °C · 254 °C(lit.)
밀도: 1.36 g/mL · 1.36 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.541(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 액체
색상: 무색~황색
수용성: 물에 약간 용해됨
InChI: InChI=1S/C9H11BrO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey: FWOHDAGPWDEWIB-UHFFFAOYSA-N
SMILES: C1(COCCBr)=CC=CC=C1

화학적 성질

Clear colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 50 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (94%)

안전 데이터

wgk: 3
tsca: No
ridadr: UN 3334
HS 번호: 29093090
risk_code: 22
hazard_code: Xn
safety_code: 24/25
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Benzyl 2-broMoethyl ether is a reactant used in the preparation of muscarinic antagonist.

일반 설명Benzyl 2-bromoethyl ether is an organic building block. Its enthalpy of vaporization at boiling point (527.15K) has been reported to be 46.499kjoule/mol.