(S)-3-클로로-1-페닐-1-프로판올

(S)-(-)-3-Chloro-1-phenyl-1-propanol

HCID 2777894

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 100306-34-1
표준 SMILES: O[C@@H](CCCl)c1ccccc1
InChIKey: JZFUHAGLMZWKTF-VIFPVBQESA-N
분자식: C9H11ClO
평균 분자량: 170.63 g/mol
단동위원소 질량: 170.04984265

개요

(S)-3-chloro-1-phenyl-1-propanol is an aromatic alcohol and an organochlorine compound.

이름 및 식별자

우선 이름: (S)-(-)-3-Chloro-1-phenyl-1-propanol
IUPAC: (1S)-3-chloro-1-phenylpropan-1-ol
현지명: (S)-3-클로로-1-페닐-1-프로판올
영어명: (S)-3-Chloro-1-phenyl-1-propanol
분자식: C9H11ClO
분자량: 170.64

이름 및 동의어

(S)-(-)-3-Chloro-1-phenyl-1-propanol[S]-(-)-3-chloro-1-phenyl-1-propanol(-)-3-Chloro-1-phenyl-1-propanolRefChem:407692626-422-0100306-34-1(S)-3-Chloro-1-phenylpropan-1-ol(S)-3-Chloro-1-phenyl-1-propanol(1S)-3-chloro-1-phenylpropan-1-olMFCD00013309(1S)-3-chloro-1-phenyl-propan-1-olBenzenemethanol, alpha-(2-chloroethyl)-, (alphaS)-

이름 더 보기

(S)-3-클로로-1-페닐-1-프로판올Dapoxetine Impurity 373-CHLORO-1-PHENYL-1-PROPANOLS(-)-3-CHLORO-1-PHENYLPROPANOLa-(2-Chloroethyl)benzenemethanolα-(2-Chloroethyl)benzenemethanol2-(102-Chlorobenzoyl)benzoic&acidALPHA-(2-CHLOROETHYL)-BENZYL ALCOHOL(aS)-α-(2-Chloroethyl)benzenemethanol

Dapoxetine Impurity 40(s)-3-chloro-1-phenylpropanol(S)-3-chloro-1-phenyl-propanol(S)-3-chloro-1-phenylpropan-1olCS-W017667(S)-(+)-3-Chloro-1-phenyl-1-propanol(S)-(-)-a-(2-Chloroethyl)benzyl Alcohol[S]-(-)-1 chloro -3-phenyl-3-propanol

데이터베이스 식별자

CAS: 100306-34-1
PubChem CID: 2777894
DTXSID: DTXSID30380701
ChEBI: CHEBI:232114
UNII: 7T5HT3454V
EC Number: 626-422-0
Nikkaji: J1.365.961C

물성

구조 계산 물성

XLogP: 2
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 99.7

물리화학적 성질

녹는점: 58 · 58-60 °C (lit.)
끓는 점: 296 °C · 296 °C
밀도: 1.149 · 1.149
인화점: 132 °C · 132 °C
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 13.92 · 13.92±0.20(Predicted)
색상: 흰색에서 황백색까지
InChI: InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m0/s1
InChIKey: JZFUHAGLMZWKTF-VIFPVBQESA-N
SMILES: C1C=C([C@@H](O)CCCl)C=CC=1

화학적 성질

white to light yellow crystal powde

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.