5-Bromo-2-chloronicotinamide

Basic Information

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CAS Number

75291-85-9

Molecular Formula

C6H4BrClN2O

Molecular Weight

235.47 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

187-188 ºC (ethanol water )

Density

1.818±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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C1=C(C=NC(=C1C(=O)N)Cl)Br

InChI

InChI=1S/C6H4BrClN2O/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H,(H2,9,11)

InChIKey

NFUOTGWWIKJNQL-UHFFFAOYSA-N

LogP

1.5963999999999998

Topological Polar Surface Area

55.980000000000004 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

167

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AKOS005662894
FF-0711
5-Bromo-2-chloro-nicotinamide
75291-85-9
5-BROMO-2-CHLORONICOTINAMIDE
AMY6276
DTXSID20504939
SY031233
5-bromo-2-chloropyridine-3-carboxamide
CS-0149983
O11363
SCHEMBL4492180
A865710
MFCD13176452
FT-0683872
NFUOTGWWIKJNQL-UHFFFAOYSA-N
5-Bromo-2-chloronicotinamide
5-Bromo-2-chloropyridine-3-carboxamide

MDL Number

MFCD13176452

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 5-Bromo-2-chloronicotinamide (CAS: 75291-85-9)?

5-Bromo-2-chloronicotinamide (CAS: 75291-85-9) is a crystalline compound with a molecular weight of approximately 210.01 g/mol. It is slightly soluble in water and ethanol. This compound is highly reactive towards nucleophiles and exhibits typical amide reactivity. It is often used in organic synthesis due to its bromine and chlorine substituents, which can undergo various transformations in synthetic protocols.

How is 5-Bromo-2-chloronicotinamide (CAS: 75291-85-9) typically synthesized?

5-Bromo-2-chloronicotinamide (CAS: 75291-85-9) is typically synthesized by the bromination of 5-chloronicotinamide followed by the substitution of the chlorine atom with bromine. The reaction involves the use of bromine in the presence of appropriate bases or catalysts to achieve high selectivity and yield. The process often requires careful control of reaction conditions to avoid overbromination.

What industries use 5-Bromo-2-chloronicotinamide (CAS: 75291-85-9)?

5-Bromo-2-chloronicotinamide (CAS: 75291-85-9) is primarily used in the pharmaceutical industry for the development of novel drugs. It is also utilized in the synthesis of intermediates for polymers and sensors due to its reactive functional groups. Additionally, its properties make it relevant in the field of semiconductor manufacturing and as a reagent in academic research.

What precautions should be taken when handling 5-Bromo-2-chloronicotinamide (CAS: 75291-85-9)?

When handling 5-Bromo-2-chloronicotinamide (CAS: 75291-85-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood due to its potential to release toxic fumes. Spills should be cleaned up using appropriate absorbents, and the area should be thoroughly decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.