(S)-4-클로로-알파-메틸벤질알코올

(1S)-1-(4-chlorophenyl)ethan-1-ol

HCID 6950175CAS 99528-42-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[C@H](O)c1ccc(Cl)cc1
InChIKey: MVOSNPUNXINWAD-LURJTMIESA-N
분자식: C8H9ClO
평균 분자량: 156.61 g/mol
단동위원소 질량: 156.03419259

이름 및 식별자

우선 이름: (1S)-1-(4-chlorophenyl)ethan-1-ol
IUPAC: (1S)-1-(4-chlorophenyl)ethanol
현지명: (S)-4-클로로-알파-메틸벤질알코올
영어명: (S)-4-CHLORO-ALPHA-METHYLBENZYL ALCOHOL
분자식: C8H9ClO
분자량: 156.61

이름 및 동의어

(1S)-1-(4-CHLOROPHENYL)ETHAN-1-OLRefChem:393750624-600-2(S)-1-(4-Chlorophenyl)ethanol99528-42-4(1S)-1-(4-chlorophenyl)ethanolMFCD06797296(S)-1-(4-chlorophenyl)ethan-1-ol(S)-4-CHLORO-ALPHA-METHYLBENZYL ALCOHOLDTXSID60426186SC1278AKOS016843250

이름 더 보기

(S)-4-클로로-알파-메틸벤질알코올(R)-1-(4-chlorophenyl)ethan-1-ol2,7-Naphthyridin-1(7H)-one(S)-4-Chloro-1-phenylethanol(S)-(-)-1-(4-chlorophenyl)-1-eth(S)-1-(4-Chlorophenyl)ethanol ,97%(S)-4-Chloro-α-methylbenzyl alcohol(S)-(-)-1-(4-chlorophenyl)-1-ethanol

DS-17632(S)-4-Chloro-alpha-methylbenzyl alcohol, 95%EN300-204446(S)-4'-CHLORO-1-PHENYLETHANOLTBN2UJ5LTPSCHEMBL3072654SCHEMBL5006070(s)-1-(4'-chlorophenyl)ethanol

데이터베이스 식별자

CAS: 99528-42-4
PubChem CID: 6950175
DTXSID: DTXSID60426186
UNII: TBN2UJ5LTP
EC Number: 624-600-2
Nikkaji: J620.330B

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: 97.4

물리화학적 성질

녹는점: 110 °C · 110 °C
끓는 점: 240.6 · 240.6±15.0 °C(Predicted)
밀도: 1.175 g/mL · 1.175 g/mL at 25 °C
굴절률: 20 · n20/D 1.544
인화점: 110 °C · 110 °C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: liquid
산도 계수 (pKa): 14.22 · 14.22±0.20(Predicted)
InChI: InChI=1/C8H9ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/s3
InChIKey: MVOSNPUNXINWAD-ISZMHOAENA-N
SMILES: [C@H](C1C=CC(Cl)=CC=1)(O)C |&1:0,r|

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 40 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: 2906290090
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도(S)-1-(4-Chlorophenyl)ethanol is a building block used in the synthesis of novel N,N’-dimethylpiperazines which display metal binding abilities.

상·하류 제품 정보

상류 원료

2,3-DICHLORO-5,8-DIHYDROXY-1,4-나프토퀴논

공급사50 곳

陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]

宁波振岳医药科技有限公司19817745290 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

广州理文科技有限公司18028686850 · [email protected]

연결된 노트

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