1-Benzyl-4-chlorobenzene

Basic Information

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CAS Number

831-81-2

Molecular Formula

C13H11Cl

Molecular Weight

202.68 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

7°C

Boiling Point

153°C/10mmHg

Density

1.121±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

122.0±8.6 ºC,

Solubility

Insuluble (1.1E-3 g/L) (25 ºC),

Refractive Index

1.5854 (589.3 nm 20 ºC)

SMILES

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Clc1ccc(cc1)Cc1ccccc1

InChI

InChI=1S/C13H11Cl/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2

InChIKey

NPOGRKGIBGKRNI-UHFFFAOYSA-N

LogP

3.9308000000000023

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

153

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-Benzyl-4-chlorobenzene
4-Chlorodiphenylmethane
Benzene,1-chloro-4-(phenylmethyl)-
p-Chlorobenzylbenzene
(4-benzyl)chlorobenzene
4-Benzylchlorobenzene
NSC 83166
p-Chlorodiphenylmethane
Benzene, 1-chloro-4-(phenylmethyl)-
(p-Chlorophenyl)phenylmethane
4-chlorodiphenyl methane
Methane, (p-chlorophenyl)phenyl-
DF8MF37RDF
4-chlorophenyl phenylmethane
C13H11Cl
4-Chloroditan
(4-CHLOROPHENYL)PHENYLMETHANE
Methane, (4-chlorophenyl)phenyl-
p-Chlordiphenylmethan
1-Chloro-4-benzylbenzene
1-benzyl-4-chloro-benzene
NCIOpen2_004778
1-

MDL Number

MFCD00094070

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Benzyl-4-chlorobenzene (CAS: 831-81-2)?

1-Benzyl-4-chlorobenzene is a white crystalline solid with a molecular weight of 215.61 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. This compound is relatively stable under normal conditions but can undergo electrophilic aromatic substitution reactions. It is slightly reactive towards bases and certain metals.

How is 1-Benzyl-4-chlorobenzene (CAS: 831-81-2) typically synthesized?

1-Benzyl-4-chlorobenzene is commonly synthesized by chlorinating benzylbenzene in the presence of a Lewis acid catalyst such as aluminum chloride. The reaction typically proceeds with moderate to good yield and selectivity, making it a feasible method for industrial production.

What industries use 1-Benzyl-4-chlorobenzene (CAS: 831-81-2)?

1-Benzyl-4-chlorobenzene is used in various industries, including pharmaceuticals for the synthesis of certain drugs, and in the production of dyes and pigments. It is also a precursor in the manufacturing of electronic materials due to its benzene ring structure.

What precautions should be taken when handling 1-Benzyl-4-chlorobenzene (CAS: 831-81-2)?

When handling 1-Benzyl-4-chlorobenzene, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhaling vapors. Spills should be handled carefully using appropriate absorbents, and the substance should be stored in a cool, dry place away from sources of ignition and incompatible materials. Always refer to the Material Safety Data Sheet (MSDS) for specific handling instructions.