(S)-2-클로로-1-페닐-에탄올

2-Chloro-1-phenylethanol, (+)-

HCID 643323

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 70111-05-6
표준 SMILES: O[C@H](CCl)c1ccccc1
InChIKey: XWCQSILTDPAWDP-MRVPVSSYSA-N
분자식: C8H9ClO
평균 분자량: 156.61 g/mol

이름 및 식별자

우선 이름: 2-Chloro-1-phenylethanol, (+)-
IUPAC: (1S)-2-chloro-1-phenylethanol
현지명: (S)-2-클로로-1-페닐-에탄올
영어명: (S)-2-Chloro-1-phenyl-ethanol
분자식: C8H9ClO
분자량: 156.61

이름 및 동의어

70111-05-6(S)-2-CHLORO-1-PHENYLETHANOL(S)-(+)-2-Chloro-1-phenylethanol(+)-2-chloro-1-phenylethanolCOR4DV3VVW(S)-1-Phenyl-2-chloroethanol2-Chloro-1-phenylethanol, (+)-(S)-alpha-(Chloromethyl)benzenemethanol(S)-.ALPHA.-(CHLOROMETHYL)BENZENEMETHANOL(.ALPHA.S)-.ALPHA.-CHLOROMETHYLBENZENEMETHANOLBENZENEMETHANOL, .ALPHA.-(CHLOROMETHYL)-, (.ALPHA.S)-RefChem:468516

이름 더 보기

(S)-2-클로로-1-페닐-에탄올(S)-2-chloro-1-phenylethano(alphaS)-alpha-ChloromethylbS(+)-2-CHLORO-1-PHENYLETHANOL(S)--2-chloro-1-phenylethyl alcohol(s)-(+)-α-(chloromethyl)benzenemethanol(S)-2-Chloro-1-phenylethanol - [C91813]

(ALPHAS)-ALPHA-CHLOROMETHYLBENZENEMETHANOLBENZENEMETHANOL, ALPHA-(CHLOROMETHYL)-, (ALPHAS)-814-028-3(1S)-2-chloro-1-phenylethanolMFCD00077692(S)-2-CHLORO-1-PHENYL-ETHANOLUNII-COR4DV3VVW(1S)-2-chloro-1-phenyl-ethanol

데이터베이스 식별자

CAS: 70111-05-6
PubChem CID: 643323
UNII: COR4DV3VVW
EC Number: 814-028-3
Nikkaji: J724.800H

물성

구조 계산 물성

XLogP: 1.6
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: 89.3

물리화학적 성질

녹는점: 140 °C · 140 °C
끓는 점: 255 ℃ · 255℃
밀도: 1.185 g/mL · 1.185 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.550(lit.)
인화점: 113 °C · 113 °C
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 13.21 · 13.21±0.20(Predicted)
물리적 상태: 약간 점성이 있는 액체
색상: Clear, lemon/khaki/faint tan
BRN: 3648988 · 3648988
InChIKey: XWCQSILTDPAWDP-MRVPVSSYSA-N

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2906290090
safety_code: 23-24/25

화학 및 산업

응용 분야

용도(S)-(+)-2-Chloro-1-phenylethanol is a building block used in the preparation of enantiopure styrene oxide which may be used as an important building block itself for organic and pharmaceutical syntheses.