2,3-Dibromopropionitrile, 90%

Basic Information

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CAS Number

4554-16-9

Molecular Formula

C3H3Br2N

Molecular Weight

201.89 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Boiling Point

173 ºC

Flash Point

172 ºF

Refractive Index

1.545

SMILES

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C(C(C#N)Br)Br

InChI

InChI=1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3

InChIKey

XFNJYAKDBJUJAJ-UHFFFAOYSA-N

LogP

2.1647

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

72.1

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4554-16-9
FZ3MT81KSH
.ALPHA.,.BETA.-DIBROMOPROPIONITRILE
1,2-Dibromopropionitrile
EINECS 224-925-6
FT-0609528
Caswell No. 287B
UNII-FZ3MT81KSH
InChI=1/C3H3Br2N/c4-1-3(5)2-6/h3H,1H2
2,3-Dibromopropanenitrile #
2,3-Dibromopropanenitrile
NS00047950
AKOS015833922
SCHEMBL651694
Propanenitrile, 2,3-dibromo-
EPA Pesticide Chemical Code 287400
2,3-Dibromopropionitrile
DTXSID20863417
AS-48004
F17522
2,3-Dibromo-propionitrile
MFCD00001857
ARRIEYYNOLTVTE-UHFFFAOYSA-
Q27278333
2,3-Dibromopropiononitrile
W-106128
2,3-Dibromopropionitrile, 90per cent
2,3-DIBROMOPROPANONITRILE
CS-0204302
2,3-dibromopropionitrile
2,3-Dibromorpropionitrile

MDL Number

MFCD00001857

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2,3-Dibromopropionitrile (CAS: 4554-16-9)?

2,3-Dibromopropionitrile (CAS: 4554-16-9) is a colorless to light yellow liquid. It has a molecular weight of approximately 228.94 g/mol and a boiling point of 154°C. This compound is slightly soluble in water but miscible with ethanol and ether. It is highly reactive and susceptible to hydrolysis under basic conditions.

How is 2,3-Dibromopropionitrile (CAS: 4554-16-9) typically synthesized?

2,3-Dibromopropionitrile (CAS: 4554-16-9) is typically synthesized through the reaction of propionitrile with bromine in the presence of a catalyst such as iron(III) bromide. The reaction involves electrophilic addition, leading to high selectivity and good yield.

What industries use 2,3-Dibromopropionitrile (CAS: 4554-16-9)?

2,3-Dibromopropionitrile (CAS: 4554-16-9) is used in various industries, including pharmaceuticals, where it serves as a precursor in drug synthesis; in polymers, where it can be used in the production of specific polymer additives; and in sensors and semiconductors, where its unique chemical properties make it valuable for certain applications.

What precautions should be taken when handling 2,3-Dibromopropionitrile (CAS: 4554-16-9)?

When handling 2,3-Dibromopropionitrile (CAS: 4554-16-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed guidelines on handling and storage.