2-(3-Bromophenyl)ethan-1-ol

HCID 2734090CAS 28229-69-8

기본 정보

표준 SMILES: OCCc1cccc(Br)c1
InChIKey: PTTFLKHCSZSFOL-UHFFFAOYSA-N
분자식: C8H9BrO
평균 분자량: 201.06 g/mol
단동위원소 질량: 199.98367701

이름 및 식별자

우선 이름: 2-(3-Bromophenyl)ethan-1-ol
IUPAC: 2-(3-bromophenyl)ethanol
영어명: 3-Bromophenethyl alcohol
분자식: C8H9BrO
분자량: 201.06

이름 및 동의어

2-(3-bromophenyl)ethan-1-olRefChem:455278691-780-73-Bromophenethyl alcohol28229-69-82-(3-Bromophenyl)ethanolBenzeneethanol, 3-bromo-3-BromobenzeneethanolMFCD001918573-(2-hydroxyethyl)bromobenzene2-(3-bromophenyl)-ethanol2-(3-Bromophenyl)-1-ethanol

이름 더 보기

m-Bromophenylethanol3-Bromophenethylacohol3-BROMOPHENYLETHYL ALCOHOL3-Bromophenethylalcohol,97%3-Bromophenethyl alcohol 97%

2-(3-Bromophenyl)ethyl AlcoholAB3194AKOS009157833CS-W007864SY006105TS-02854B35173-BROMOPHENETHYLALCOHOL

데이터베이스 식별자

CAS: 28229-69-8
PubChem CID: 2734090
DTXSID: DTXSID20370116
UNII: KL2LD38BG7
EC Number: 691-780-7
Nikkaji: J1.421.976E

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: 107 · 107-110 °C/1 mmHg (lit.)
밀도: 1.478 g/mL · 1.478 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5732(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
산도 계수 (pKa): 14.83 · 14.83±0.10(Predicted)
색상: 무색의
InChI: 1S/C8H9BrO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
InChIKey: PTTFLKHCSZSFOL-UHFFFAOYSA-N
SMILES: OCCc1cccc(Br)c1

화학적 성질

clear colorless 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 29062990
hazard_code: Xi
safety_code: 24/25
위험 참고 사항: Harmful/Irritant/Keep Cold
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도3-Bromophenethyl alcohol may be used as a starting material in the synthesis of its mesylate derivative (m-Br-C6H4CH2CH2OMs) by treatment with mesyl chloride.

일반 설명3-Bromophenethyl alcohol is a phenethyl alcohol derivative. Its enthalpy of vaporization at boiling point has been determined.