3-Bromo-5-methylbenzonitrile

Basic Information

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CAS Number

124289-21-0

Molecular Formula

C8H6BrN

Molecular Weight

196.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

57-58.5 ºC

Boiling Point

256.1±20.0 ºC (760 Torr),

Flash Point

108.7±21.8 ºC,

SMILES

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

InChI

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

InChIKey

JRGGBJGKQMUYOK-UHFFFAOYSA-N

LogP

2.62918

Complexity

158

Synonyms & References

English

CL9117
MFCD08061970
Benzonitrile, 3-bromo-5-methyl-
124289-21-0
AKOS006283982
GS-4390
3-Methyl-5-bromobenzonitrile
3-bromo-5-cyanotoluene
J-512037
DTXSID20561724
EN300-112948
3-Bromo-5-methyl-benzonitrile
JRGGBJGKQMUYOK-UHFFFAOYSA-N
SY021362
SCHEMBL254589
A21030
3-Bromo-5-methylbenzonitrile
CS-W003460
FT-0726349
AC-26117
Benzonitrile,3-bromo-5-methyl-
Bromo-5-methyl-benzonitrile
3-bromo-5-methylbenzonitrile

MDL Number

MFCD08061970

Customs Code

2926909090

FAQ

What is 3-Bromo-5-methylbenzonitrile (CAS: 124289-21-0)?

3-Bromo-5-methylbenzonitrile is an organic compound with the formula C<sub>8</sub>H<sub>7</sub>BrCN. This colorless or white crystalline solid is used in pharmaceuticals and as a chemical intermediate. It has a melting point of 52-53°C and is soluble in ethanol and ethyl acetate.

What are the main uses of 3-Bromo-5-methylbenzonitrile (CAS: 124289-21-0)?

3-Bromo-5-methylbenzonitrile is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It also serves as a building block for various organic compounds in industrial chemistry.

Is 3-Bromo-5-methylbenzonitrile (CAS: 124289-21-0) safe?

3-Bromo-5-methylbenzonitrile is generally safe when handled under proper conditions. However, it can be toxic if ingested or inhaled. It is important to follow safety guidelines, use appropriate personal protective equipment, and avoid contact with skin and eyes.

How should 3-Bromo-5-methylbenzonitrile (CAS: 124289-21-0) be stored?

3-Bromo-5-methylbenzonitrile should be stored in a cool, dry place away from heat and direct sunlight. It should be kept in a tightly closed container to prevent moisture absorption. The storage temperature should be below 25°C to ensure stability.