α,4-Dichlor-α-phenyltoluol

4-Chlorobenzhydryl chloride

HCID 241584CAS 134-83-8

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Grundinformationen

Standard-SMILES: Clc1ccc(C(Cl)c2ccccc2)cc1
InChIKey: ALKWTKGPKKAZMN-UHFFFAOYSA-N
Summenformel: C13H10Cl2
Durchschnittliche Molmasse: 237,12 g/mol
Monoisotopische Masse: 236,01595568

Überblick

causes contact dermititis; structure in first source

Namen und Bezeichner

Bevorzugter Name: 4-Chlorobenzhydryl chloride
IUPAC: 1-chloro-4-[chloro(phenyl)methyl]benzene
Lokaler Name: α,4-Dichlor-α-phenyltoluol
Englischer Name: 4-Chlorobenzhydrylchloride
Summenformel: C13H10Cl2
Molmasse: 237.12

Namen und Synonyme

134-83-84-Chlorobenzhydryl chloridep-Chlorobenzhydryl chlorideBenzene, 1-chloro-4-(chlorophenylmethyl)-LC0K0NYJ2NNSC-49126DTXSID80874382RefChem:521945DTXCID001012509p-chlorophenyl phenyl chloromethanep-chlorophenyl-phenyl-methylchloride205-158-6

Weitere Namen anzeigen

UNII:LC0K0NYJ2N4-ChlorobenzhydrylchLABOTEST-BB LT00160064à,4-dichlorodiphenylmethane?,4-dichloro-?-phenyltolueneα,4-dichloro-α-phenyltoluene4-Chlorodiphenylmethylchloride

4-Chlorobenzhydrylchloride1-Chloro-4-(chloro(phenyl)methyl)benzene1-Chloro-4-[chloro(phenyl)methyl]benzeneChloro(p-chlorophenyl)phenylmethaneChloro(4-chlorophenyl)phenylmethaneMethane, chloro(p-chlorophenyl)phenyl-1-chloro-4-(chlorophenylmethyl)benzeneMFCD00000856

Datenbank-Bezeichner

CAS: 134-83-8
PubChem CID: 241584
DTXSID: DTXSID80874382
UNII: LC0K0NYJ2N
EC Number: 205-158-6
Nikkaji: J136.597E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,1
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 179

Physikochemische Eigenschaften

Siedepunkt: 159 · 159-160 °C2 mm Hg(lit.)
Dichte: 1.239 g/mL · 1.239 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.603(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow to Light orange
Wasserlöslichkeit: IMMISCIBLE
BRN: 2050236 · 2050236
CAS Datenbank: 134 · 134-83-8(CAS DataBase Reference)
NIST chemische Informationen: 1 · Benzene, 1-chloro-4-(chlorophenylmethyl)-(134-83-8)
EPA chemische Informationen: 1 · Benzene, 1-chloro-4-(chlorophenylmethyl)- (134-83-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P333+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 11-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21497

4-Chlorobenzhydryl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (98%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29036990
risk_code: 34-36/37-36
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: II

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1-chloro-4-(chlorophenylmethyl)-: ACTIVE

Darstellung · 1 Eintrag

synthetischePreparation of 4-Chlorobenzhydryl Chloride (4-CBC): The 4-chlorobenzhydrol (4-CB) in 15 mL of toluene, obtained from the previous step, was mixed with 10 mL of conc. HCl at 60oC maintained at the same temperature for 2.5 h. The reaction mixture was cooled to 20oC to separate into organic and aqueous layers. The toluene layer was washed with 10 % aq. sodium carbonate to pH 7, dried over anhydrous sodium sulphate and taken to next step without isolation.