4-Chlorbenzhydrylalkohol

4-Chlorobenzhydrol

HCID 8401CAS 119-56-2

Grundinformationen

Standard-SMILES
OC(c1ccccc1)c1ccc(Cl)cc1
InChIKey
AJYOOHCNOXWTKJ-UHFFFAOYSA-N
Summenformel
C13H11ClO
Durchschnittliche Molmasse
218,68 g/mol
Monoisotopische Masse
218,04984265

Überblick

P-Chlorobenzhydrol is a diarylmethane.

Namen und Bezeichner

Bevorzugter Name
4-Chlorobenzhydrol
IUPAC
(4-chlorophenyl)-phenylmethanol
Lokaler Name
4-Chlorbenzhydrylalkohol
Englischer Name
4-Chlorobenzhydrol
Summenformel
C13H11ClO
Molmasse
218.68

Namen und Synonyme

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
Weitere Namen anzeigen
Cetirizine 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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,3
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
15

Physikochemische Eigenschaften

Schmelzpunkt
58 · 58-60 °C (lit.)
Siedepunkt
150 · 150-151°C 2,6mm
Dichte
1.1178 · 1.1178 (rough estimate)
Brechungsindex
1.526 · 1.5260 (estimate)
Flammpunkt
150 · 150-151°C/2.6mm
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Sicherheitsdaten

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

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenemethanol, 4-chloro-.alpha.-phenyl-: INACTIVE
Anwendungen · 1 Eintrag

Verwenden4-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 .

Darstellung · 1 Eintrag

synthetischePreparation 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).

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