(S)-1-(2-브로모페닐)에탄올

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

HCID 6950331CAS 114446-55-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[C@H](O)c1ccccc1Br
InChIKey: DZLZSFZSPIUINR-LURJTMIESA-N
분자식: C8H9BrO
평균 분자량: 201.06 g/mol
단동위원소 질량: 199.98367701

이름 및 식별자

우선 이름: 1-(2-Bromophenyl)ethan-1-ol
IUPAC: (1S)-1-(2-bromophenyl)ethanol
현지명: (S)-1-(2-브로모페닐)에탄올
영어명: (S)-1-(2-BROMOPHENYL)ETHANOL
분자식: C8H9BrO
분자량: 201.06

이름 및 동의어

DTXSID40921381RefChem:1053918DTXCID0013502781-(2-Bromophenyl)ethan-1-ol(S)-1-(2-Bromophenyl)Ethanol114446-55-8(1S)-1-(2-bromophenyl)ethanolMFCD00004509(1S)-1-(2-bromophenyl)ethan-1-ol(s)-2-bromo-alpha-methylbenzyl alcohol(S)-(-)-2-Bromo-alpha-methylbenzyl alcoholBenzenemethanol, 2-bromo-alpha-methyl-, (alphaS)-

이름 더 보기

(S)-1-(2-브로모페닐)에탄올Benzylamine LR(s)-(-)-2-bromo-α-methylbe(S)-1-Phenyl-2-bromoethanol(S)-1-(2-BroMohenyl)ethanol(S)-1-(2-bromophenyl)ethane(S)-1-(2-bromopheyl)ethanol(S)-1-(o-Bromophenyl)ethanol(1S)-1-Phenyl-2-bromoethanol(1S)-1-Phenyl 2-bromoethanol

SCHEMBL1328402(S)-1-(2-bromophenyl)ethan-1-ol(S)-(-)-2-Bromo-|A-methylbenzyl alcoholSCHEMBL29609183DZLZSFZSPIUINR-LURJTMIESA-NPEA44655SBB064753SC1257

데이터베이스 식별자

CAS: 114446-55-8
PubChem CID: 6950331
DTXSID: DTXSID40921381
EC Number: 624-057-1
Nikkaji: J267.440H

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 105

물리화학적 성질

녹는점: 56 · 56-58 °C(lit.)
끓는 점: 128 °C15 · 128 °C15 mm Hg(lit.)
밀도: 1.3646 · 1.3646 (rough estimate)
굴절률: 1.561 · 1.5610 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 14.01 · 14.01±0.20(Predicted)
InChI: 1S/C8H9BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m0/s1
InChIKey: DZLZSFZSPIUINR-LURJTMIESA-N
SMILES: C[C@H](O)c1ccccc1Br

화학적 성질

off-white to light yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.