Benzenemethanol, 4-chloro-alpha-methyl-

HCID 18825CAS 3391-10-4

기본 정보

표준 SMILES: CC(O)c1ccc(Cl)cc1
InChIKey: MVOSNPUNXINWAD-UHFFFAOYSA-N
분자식: C8H9ClO
평균 분자량: 156.61 g/mol
단동위원소 질량: 156.03419259

이름 및 식별자

우선 이름: Benzenemethanol, 4-chloro-alpha-methyl-
IUPAC: 1-(4-chlorophenyl)ethanol
영어명: 1-(4-Chlorophenyl)ethanol
분자식: C8H9ClO
분자량: 156.61

이름 및 동의어

1-(4-Chlorophenyl)ethanol1-(P-CHLOROPHENYL)ETHANOLBenzenemethanol, 4-chloro-.alpha.-methyl-Benzenemethanol, 4-chloro-alpha-methyl-p-Chloro-alpha-methylbenzyl alcoholalpha-(p-Chlorophenyl)ethanolDTXSID60871854EINECS 222-223-4NSC 87867Benzyl alcohol, p-chloro-alpha-methyl-AI3-02463RefChem:563508

이름 더 보기

P-CHLOROPHENYLMETHYCARBINOL1-p-Chlorophenylethyl alcohol4-Chlor-α-methylbenzylalkohol4-Chlor-α-methylbenzylalkohol4-CHLOROPHENYL METHYL CARBINOLp-Chloro-α-methylbenzyl alcohol1-(4-CHLOROPHENYL)ETHYL ALCOHOL

DTXCID40819471Benzyl alcohol, p-chloro-alpha-methyl-(8CI)3391-10-41-(4-chlorophenyl)ethan-1-ol4-Chloro-alpha-methylbenzyl alcoholMFCD000410384-ChlorophenylmethylcarbinolBenzyl alcohol, p-chloro-.alpha.-methyl-

데이터베이스 식별자

CAS: 3391-10-4
PubChem CID: 18825
DTXSID: DTXSID60871854
UNII: Y35SM392RP
EC Number: 222-223-4
Nikkaji: J28.523D

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

끓는 점: 119 °C/10 · 119 °C/10 mmHg (lit.)
밀도: 1.171 g/mL · 1.171 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.541(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
산도 계수 (pKa): 14.22 · 14.22±0.20(Predicted)
Specific Gravity: 1.17 · 1.17
색상: 무색~담황색
BRN: 2042027 · 2042027
InChI: InChI=1S/C8H9ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
InChIKey: MVOSNPUNXINWAD-UHFFFAOYSA-N
SMILES: C1(=CC=C(Cl)C=C1)C(O)C
NIST: 4 · 4-Chloro-alpha-methylbenzyl alcohol(3391-10-4)
EPA: 4 · Benzenemethanol, 4-chloro-.alpha.-methyl- (3391-10-4)

화학적 성질

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 45 reports by companies from 5 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
tsca: TSCA listed
HS 번호: 29062990
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-37/39
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenemethanol, 4-chloro-.alpha.-methyl-: INACTIVE

응용 분야

용도1-(4-Chlorophenyl)ethanol was used to study transfer dehydrogenation of various alcohols over heterogeneous palladium catalysts using olefins as hydrogen acceptors.