2-(2-Bromophenyl)ethan-1-ol

HCID 2734089CAS 1074-16-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCCc1ccccc1Br
InChIKey: ADLOWZRDUHSVRU-UHFFFAOYSA-N
분자식: C8H9BrO
평균 분자량: 201.06 g/mol
단동위원소 질량: 199.98367701

개요

See also: Benzeneethanol, 2-bromo- (annotation moved to).

이름 및 식별자

우선 이름: 2-(2-Bromophenyl)ethan-1-ol
IUPAC: 2-(2-bromophenyl)ethanol
영어명: 2-Bromophenethylalcohol
분자식: C8H9BrO
분자량: 201.06

이름 및 동의어

2-(2-Bromophenyl)Ethan-1-OlRefChem:453484839-968-12-(2-Bromophenyl)ethanol1074-16-42-Bromophenethyl alcohol2-BromophenethylalcoholMFCD00093566o-Bromophenethyl Alcohol2-(2-Bromophenyl)ethyl Alcohol2-bromophenyl ethyl alcohol2-(2-bromo-phenyl)-ethanol

이름 더 보기

2-broMo-2-phenylethan-1-ol2-BROMOPHENYLETHANOL2-bromophenylethyl alcoholO-bromophenylethanolBenzeneethanol, 2-bromo-

SCHEMBL286557SY011299B3516EN300-212273F0001-01532-Bromobenzeneethanol2-(2-Hydroxyethyl)bromobenzene2-(2-Hydroxyethyl)bromobenzene; 2-Bromobenzeneethanol; 2-Bromophenethyl Alcohol; o-Bromophenethyl Alcohol; o-Bromophenylethyl Alcohol;

데이터베이스 식별자

CAS: 1074-16-4
PubChem CID: 2734089
DTXSID: DTXSID60370115
EC Number: 839-968-1
Nikkaji: J1.491.455B

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 95.3

물리화학적 성질

끓는 점: 97 °C/0.7 · 97 °C/0.7 mmHg (lit.)
밀도: 1.483 g/mL · 1.483 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.577(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO및에틸아세테이트에 용해됨
산도 계수 (pKa): 14.7 · 14.70±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 1.483 · 1.483
색상: 약간 노란색으로 맑음
InChI: InChI=1S/C8H9BrO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
InChIKey: ADLOWZRDUHSVRU-UHFFFAOYSA-N
SMILES: C1(CCO)=CC=CC=C1Br

화학적 성질

clear slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 29062990
safety_code: 24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2-Bromophenethyl alcohol is a brominated phenethanol derivative used as a building block in the preparation or bicyclic and tricyclic heterocycles.

일반 설명2-Bromophenethyl alcohol is a phenethyl alcohol derivative. It participates in the preparation of novel P-chirogenic phosphines with a sulfur-chelating arm (P*,S-hybrid ligand).