4-클로로벤지드릴 알코올

4-Chlorobenzhydrol

HCID 8401CAS 119-56-2

기본 정보

표준 SMILES
OC(c1ccccc1)c1ccc(Cl)cc1
InChIKey
AJYOOHCNOXWTKJ-UHFFFAOYSA-N
분자식
C13H11ClO
평균 분자량
218.68 g/mol
단동위원소 질량
218.04984265

개요

P-Chlorobenzhydrol is a diarylmethane.

이름 및 식별자

우선 이름
4-Chlorobenzhydrol
IUPAC
(4-chlorophenyl)-phenylmethanol
현지명
4-클로로벤지드릴 알코올
영어명
4-Chlorobenzhydrol
분자식
C13H11ClO
분자량
218.68

이름 및 동의어

4-Chlorobenzhydrol119-56-2P-CHLOROBENZHYDROLChlorobenzhydrol(4-Chlorophenyl)phenylmethanolBenzhydrol, 4-chloro-Benzhydrol, p-chloro-4-Chlorobenzhydryl alcoholBenzenemethanol, 4-chloro-.alpha.-phenyl-ChlorbenzhydrolBenzenemethanol, 4-chloro-alpha-phenyl-V5V8VYQ65X
이름 더 보기
4-클로로벤지드릴알코올Cetirizine 4-Chlorobenzhydrol ImpurityAURORA KA-7061Meclizine USP RC AP-CHLORO BENZHYDROL4-Chlorobenzohydrolp-Chlorobenzohydrol
NSC 59990EINECS 204-333-4NSC-599904-CBHAI3-20881DTXSID50870472EC 204-333-44-CHLORO-.ALPHA.-PHENYLBENZENEMETHANOL

데이터베이스 식별자

CAS
119-56-2
PubChem CID
8401
DTXSID
DTXSID50870472
ChEMBL
CHEMBL2251568
ChEBI
CHEBI:35091
UNII
V5V8VYQ65X
EC Number
204-333-4
Nikkaji
J23.092H

물성

구조 계산 물성

XLogP
3.3
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
15

물리화학적 성질

녹는점
58 · 58-60 °C (lit.)
끓는 점
150 · 150-151°C 2,6mm
밀도
1.1178 · 1.1178 (rough estimate)
굴절률
1.526 · 1.5260 (estimate)
인화점
150 · 150-151°C/2.6mm
저장 조건
2 · 2-8°C

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 14-07-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/6984

Benzenemethanol, 4-chloro-.alpha.-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29062990
risk_code
20/21/22-36/37/38
hazard_code
Xn
safety_code
24/25-36-26

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenemethanol, 4-chloro-.alpha.-phenyl-: INACTIVE
응용 분야 · 1건

용도4-Chlorobenzhydrol was used as internal standard to measure the N-demethyl antipyrine metabolite in urine by gas chromatography-mass spectrometry. It was also used in the identification of the antihistamine cetirizine as a relevant cross-reactant for the carbamazepine-specific enzyme-linked immunosorbent assay .

제조 방법 · 1건

Preparation of 4-Chlorobenzhydrol(4-CB):about 5.0g(0.023 mol) of 4-chloro benzophenone was dissolved in 15 mL of isopropyl alcohol (IPA) and heated to 50°C followed by the addition of 0.265g(0.007 mol) of sodium borohydride as a lot with the temperature maintained at 65°C for 2 h. The reaction mixture was distilled to expel isopropyl alcohol up to 90 %. The resulting solution was cooled and treated with dil HCl (5 mL of conc. HCl in 20 mL of water). Finally the reaction mass was extracted with 15 mL of toluene. The toluene extract was washed withwater to pH-7. The compound obtained in this step was taken to next step without isolation but aliquot sample was concentrated, isolated and checked for melting point (m.p. = 58-60°C).

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]

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