4-Bromo-2,2-diphenylbutanenitrile

Basic Information

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CAS Number

39186-58-8

Molecular Formula

C16H14BrN

Molecular Weight

300.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

67.0 to 71.0 deg-C

Boiling Point

160-165 °C (0.15002 mmHg)

Flash Point

177.1 °C

Refractive Index

1.5260 (estimate)

SMILES

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

InChI

InChI=1S/C16H14BrN/c17-12-11-16(13-18,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2

InChIKey

IGYSFJHVFHNOEI-UHFFFAOYSA-N

LogP

4.28128

Complexity

274

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 6.1 Class 6.1

Synonyms & References

English

2,2-Diphenyl-4-bromobutyronitrile
AS-11426
UNII-F9GC5AHQ68
C16H14BrN
A824445
EN300-16638
39186-58-8
NS00030535
AKOS000121369
NSC-80688
Butyronitrile,2-diphenyl-
4-Bromo-2,2-diphenylbutyronitrile
Benzeneacetonitrile, 4-bromo-2,2-diphenyl-
s12222
InChI=1/C16H14BrN/c17-12-11-16(13-18,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2
IGYSFJHVFHNOEI-UHFFFAOYSA-
2,2-Diphenyl-4-brombutyronitril
Z56347245
3-bromo-1-cyano-1,1-diphenyl-propane
EINECS 254-337-5
NSC80688
3-bromo-1-cyano-1,1-diphenylpropane
AI3-28719
MFCD00001845
4-Bromo-2,2-diphenylbutanenitrile #
AM20060615
FT-0617729
DTXSID10192425
Benzeneacetonitrile, .alpha.-(2-bromoethyl)-.alpha.-phenyl-
B1331
Butyronitrile, 4-bromo-2,2-diphenyl-

MDL Number

MFCD00001845

Customs Code

2926909090

FAQ

What is 4-Bromo-2,2-diphenylbutanenitrile (CAS: 39186-58-8)?

4-Bromo-2,2-diphenylbutanenitrile is an organic compound with the molecular formula C16H13BrN. It is a colorless solid with a melting point of 40-42°C. This compound is used in various chemical syntheses and research applications due to its functional groups.

What are the main uses of 4-Bromo-2,2-diphenylbutanenitrile (CAS: 39186-58-8)?

4-Bromo-2,2-diphenylbutanenitrile is primarily used in the synthesis of pharmaceuticals and organic compounds. It serves as a key intermediate in the development of new drugs and materials. Its reactivity makes it valuable for researchers looking to explore novel chemical pathways.

Is 4-Bromo-2,2-diphenylbutanenitrile (CAS: 39186-58-8) safe?

4-Bromo-2,2-diphenylbutanenitrile is considered moderately toxic, with potential skin and eye irritation. It is important to handle this compound with appropriate personal protective equipment such as gloves and goggles. Storage and handling should comply with relevant safety standards to prevent inhalation and contact with the skin.

How should 4-Bromo-2,2-diphenylbutanenitrile (CAS: 39186-58-8) be stored?

4-Bromo-2,2-diphenylbutanenitrile should be stored in a cool, dry place away from direct sunlight and heat sources. It is best kept in a tightly sealed container to prevent moisture absorption and degradation. The storage temperature should be below 25°C to ensure stability and safety. Avoid contact with reducing agents to prevent unwanted reactions.