[1,1'-Biphenyl]-2-carbonitrile, 4'-(bromomethyl)-

Basic Information

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CAS Number

114772-54-2

Molecular Formula

C14H10BrN

Molecular Weight

272.14 g/mol

EINECS

601-327-7

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Almost white

Melting Point

125-128 °C

Boiling Point

413.2±38.0 °C(Predicted)

Density

1.43±0.1 g/cm3(Predicted)

Water Solubility

Insoluble in water

Flash Point

203.7℃

Solubility

Acetonitrile (Slightly), Chloroform (Slightly)

Refractive Index

1.64

Vapor Pressure

0.1-0.2Pa at 20-25℃

SMILES

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C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CBr

InChI

InChI=1S/C14H10BrN/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9H2

InChIKey

LFFIEVAMVPCZNA-UHFFFAOYSA-N

LogP

3.2

Complexity

259

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H341 Suspected of causing genetic defects
Germ cell mutagenicity

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

SCHEMBL357
4'-(bromomethyl) [1,1'-biphenyl]-2-carbonitrile
4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile
(Bromomethylphenyl-4')-2 benzonitrile
4-(2-Cyanophenyl)benzyl bromide
AS-11904
2'-(cyano)biphenyl-4-yl-methylbromide
4'-bromomethyl-2-cyano biphenyl
2'-CYANO-4-BROMOMETHYL BIPHENYL
2-cyano-4'-(bromomethyl)biphenyl
4 -(2-cyanophenyl)benzyl bromide
4'-Bromomethyl-2-biphenylcarbonitrile
4'-(bromomethyl)-[1,1'-biphenyl]-2-carbonitrile
2'-(Cyano)biphenyl-4-ylmethyl bromide
4'-(bromomethyl)biphenyl-2-carbonitrile
B1806
4'-BROMOMETHYL-BIPHENYL-2-CARBONITRILE
4'-Bromomethylbiphenyl-2-carbonitrile
[1,1'-Biphenyl]-2-carbonitrile, 4'-(bromomethyl)-
BCP04511
114772-54-2
4'-bromo methyl-2-cyano biphenyl
LFFIEVAMVPCZNA-UHFFFAOYSA-N
4-Bromomethyl-2-cyanophenyl
DTXSID30363559
UNII-UI5JR3K10F
2-(4'-BROMOMETHYLPHENYL)BENZONITRILE
AC-6862
4-Bromomethyl-2'-cyanobiphenyl
4-(bromomethyl)-2'-cyanobiphenyl
MFCD00671503

MDL Number

MFCD00671503

EC Number

601-327-7

Customs Code

29269090

FAQ

What is [1,1'-Biphenyl]-2-carbonitrile, 4'-(bromomethyl)- (CAS: 114772-54-2)?

[1,1'-Biphenyl]-2-carbonitrile, 4'-(bromomethyl)- (CAS: 114772-54-2) is an organic compound characterized by a biphenyl ring with a cyano group at the 2-position and a bromomethyl group at the 4'-position. It is a yellow solid with a molecular formula of C15H11BrN and is commonly used as an intermediate in synthetic chemistry. This compound is known for its aromatic nature and reactivity in various chemical reactions.

What are the main uses of [1,1'-Biphenyl]-2-carbonitrile, 4'-(bromomethyl)- (CAS: 114772-54-2)?

[1,1'-Biphenyl]-2-carbonitrile, 4'-(bromomethyl)- (CAS: 114772-54-2) is widely used in the pharmaceutical industry as a building block for drug development. It also serves as an important intermediate in the synthesis of dyes, agrochemicals, and materials with specific functional properties. Researchers utilize this compound in organic synthesis due to its structural versatility and reactivity.

Is [1,1'-Biphenyl]-2-carbonitrile, 4'-(bromomethyl)- (CAS: 114772-54-2) safe?

[1,1'-Biphenyl]-2-carbonitrile, 4'-(bromomethyl)- (CAS: 114772-54-2) should be handled with care. It is considered moderately toxic and may cause irritation to the skin, eyes, and respiratory system. Protective equipment such as gloves, goggles, and a lab coat is recommended during handling. Safety data sheets (SDS) should be consulted for detailed handling and emergency procedures.

How should [1,1'-Biphenyl]-2-carbonitrile, 4'-(bromomethyl)- (CAS: 114772-54-2) be stored?

[1,1'-Biphenyl]-2-carbonitrile, 4'-(bromomethyl)- (CAS: 114772-54-2) should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed, airtight container to maintain its stability. Avoid exposure to heat and incompatible substances to ensure long-term storage safety.