4-Bromo-2-methylbenzonitrile

Basic Information

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CAS Number

67832-11-5

Molecular Formula

C8H6BrN

Molecular Weight

185.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

65-69 °C

Boiling Point

259℃ at 760 mmHg

Density

1.5466 (rough estimate)

Flash Point

110.4℃

Refractive Index

1.6550 (estimate)

SMILES

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CC1=C(C=CC(=C1)Br)C#N

InChI

InChI=1S/C8H6BrN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,1H3

InChIKey

LPEBMDFRIKYFCF-UHFFFAOYSA-N

LogP

3.065940000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

158

Safety Information

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GHS Hazard Pictograms

H302

H319

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

AKOS007930426
2-methyl-4-bromobenzonitrile
4-Bromo-2-methylcyanobenzene
4-Bromo-2-methylbenzonitrile
DTXSID30218075
4bromo-2-methylbenzonitrile
J-514675
AM20060966
4-bromo-2-methyl benzonitrile
CS-W002196
AC-4035
NSC229305
FT-0617790
4-bromo-methylbenzonitrile
67832-11-5
SCHEMBL290236
NSC 229305
A1775
B3993
benzonitrile, 4-bromo-2-methyl-
4-Bromo-2-methylbenzonitrile, 97%
4-Bromo-2-Methyl-Benzonitrile
NSC-229305
SY016349
PS-8274
EN300-107186
MFCD00041461
5-Bromo-2-cyanotoluene
Benzonitrile, 4-bromo-2-methyl-
4-Brom-2-methyl-benzonitril
4-bromo-2-methylbenzenecarbonitrile

MDL Number

MFCD00041461

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 4-Bromo-2-methylbenzonitrile (CAS: 67832-11-5)?

4-Bromo-2-methylbenzonitrile is a colorless to light yellow liquid. It has a molecular weight of approximately 203.04 g/mol and a boiling point of around 215°C. The compound is slightly soluble in water but soluble in common organic solvents like ethanol and acetone. It is moderately reactive, showing some electrophilic aromatic substitution reactivity.

How is 4-Bromo-2-methylbenzonitrile (CAS: 67832-11-5) typically synthesized?

4-Bromo-2-methylbenzonitrile is commonly synthesized via the bromination of 2-methylbenzonitrile. This process involves the use of bromine in the presence of a Lewis acid catalyst such as aluminum bromide. The reaction is carried out in a solvent like dichloromethane, with high selectivity and good yield typically achieved under mild conditions.

What industries use 4-Bromo-2-methylbenzonitrile (CAS: 67832-11-5)?

4-Bromo-2-methylbenzonitrile is primarily used in the pharmaceutical industry for the synthesis of various chemical intermediates and drugs. It is also employed in the polymer industry for the production of specialty polymers and in the electronics sector for the development of sensors and semiconductors.

What precautions should be taken when handling 4-Bromo-2-methylbenzonitrile (CAS: 67832-11-5)?

When handling 4-Bromo-2-methylbenzonitrile, it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be carried out in a fume hood to minimize exposure. Spills should be cleaned up carefully, using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed spill response procedures.