CAS 134-83-8 4-Chlorobenzhydryl chloride (HCID 241584)

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Basic information

CAS: 134-83-8
Standard SMILES: Clc1ccc(C(Cl)c2ccccc2)cc1
InChIKey: ALKWTKGPKKAZMN-UHFFFAOYSA-N
Molecular formula: C13H10Cl2
Average molar mass: 237.12 g/mol
Monoisotopic mass: 236.01595568

Overview

causes contact dermititis; structure in first source

Names & identifiers

Preferred name: 4-Chlorobenzhydryl chloride
IUPAC: 1-chloro-4-[chloro(phenyl)methyl]benzene
English name: 4-Chlorobenzhydrylchloride
Molecular formula: C13H10Cl2
Molecular weight: 237.12

Names & synonyms

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

Show more names

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

Database identifiers

CAS: 134-83-8
PubChem CID: 241584
DTXSID

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 179

Physicochemical properties

Boiling point: 159 · 159-160 °C2 mm Hg(lit.)
Density: 1.239 g/mL · 1.239 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.603(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
form: clear liquid
color: Colorless to Light yellow to Light orange
Water Solubility: IMMISCIBLE
Sensitive: Moisture Sensitive
BRN: 2050236 · 2050236
CAS DataBase Reference: 134 · 134-83-8(CAS DataBase Reference)
FDA UNII: 0 K0NYJ2N · LC0K0NYJ2N
NIST Chemistry Reference: 1 · Benzene, 1-chloro-4-(chlorophenylmethyl)-(134-83-8)
EPA Substance Registry System

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory Information · 2 items

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%)

Safety data

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29036990
risk_code: 34-36/37-36
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS09
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: II
Hazard statements: H314-H317-H318-H400-H410
Limited Quantities

Chemistry & industry

Uses & manufacturing

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

Applications

Uses1-Chloro-4-(chlorophenylmethyl)benzene is used in the synthesis of novel benzhydrylpiperazine derivatives as cytotoxic compounds in the treatment of various cancers.

Preparation methods · 1 item

PreparationPreparation 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.