Basic information
- CAS
831-81-2- Standard SMILES
Clc1ccc(Cc2ccccc2)cc1- InChIKey
NPOGRKGIBGKRNI-UHFFFAOYSA-N- Molecular formula
- C13H11Cl
- Average molar mass
- 202.68 g/mol
- Monoisotopic mass
- 202.054928
Names & identifiers
- Preferred name
- (4-Chlorophenyl)phenylmethane
- IUPAC
- 1-benzyl-4-chlorobenzene
- English name
- 4-Chlorodiphenylmethane
- Molecular formula
- C13H11Cl
- Molecular weight
- 202.68
Names & synonyms
4-Chlorodiphenylmethane1-Benzyl-4-chlorobenzenep-ChlorobenzylbenzeneBenzene, 1-chloro-4-(phenylmethyl)-(4-CHLOROPHENYL)PHENYLMETHANEUNII-DF8MF37RDF1-Chloro-4-benzylbenzene4-benzylchlorobenzeneHSDB 2676NSC 83166NSC-83166AI3-22090
Show more names
4-chloroditanp-chlorodiphenylmethane1-(benzyl)-4-chloro-benzene4-Chlorodiphenylmethane >(p-chlorophenyl)phenylmethane(p-chlorophenyl)phenyl-methan
DTXSID1073238PHENYL(P-CHLOROPHENYL)METHANE4ChloroditanpChlorobenzylbenzenepChlorodiphenylmethaneRefChem:69475(pChlorophenyl)phenylmethaneMethane, (pchlorophenyl)phenyl
Database identifiers
- CAS
831-81-2- PubChem CID
- 13253
- DTXSID
DTXSID1073238- UNII
- DF8MF37RDF
- EC Number
- 674-045-5
- Nikkaji
- J740.658D
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 153
Experimental & physicochemical properties
PolymersOther Classes -> Halogenated Polyaromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density1.1247 @ 20 °C/20 °C
SolubilityINSOL IN WATER, SOL IN ACETONE
Boiling Point298 °C @ 742 MM HG
Melting Point7.5 °C
Physical Descriptionmp = 7.5 deg C; [HSDB]
Physicochemical properties
- Melting point
- 7 °C · 7 °C
- Boiling point
- 147 · 147-148°C 8mm
- Density
- 1 · 1,11 g/cm3
- refractive index
- 1.5854 · 1.5854 (589.3 nm 20℃)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummarySee Chlorodiphenylmethane.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29039990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazardous Substances Data
- 831-81-2(Hazardous Substances Data)
Chemistry & industry
Applications
Usesp-Chlorobenzylbenzene, is a building block in the synthesis of variuos pharmaceutical compounds. It can also be used in Zinc-catalyzed benzylic C-H bond oxidation, to produce carbonyl containing compounds with good yields.
Preparation methods
Preparation4-Chlorodiphenylmethane is produced by reacting p-chlorobenzyl chloride with benzene in the presence of zinc chloride as raw material.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers78 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海炎泽化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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