Balsalazide Impurity 1

Basic Information

View in Editor

CAS Number

59642-21-6

Molecular Formula

C10H10N2O5

Molecular Weight

238.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

163.0 to 167.0 deg-C

Boiling Point

533.767°C at 760 mmHg

Density

1.407

Flash Point

276.6°C

SMILES

View in Editor

C1=CC(=CC=C1C(=O)NCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O5/c13-9(14)5-6-11-10(15)7-1-3-8(4-2-7)12(16)17/h1-4H,5-6H2,(H,11,15)(H,13,14)

InChIKey

PDTLZWITKYGYDN-UHFFFAOYSA-N

LogP

1.71340

Complexity

304

Synonyms & References

English

SR-01000065957
59642-21-6
A18957
CHEMBL1650246
N0942
CS-0207269
EN300-18576
SR-01000065957-1
MFCD00009794
SCHEMBL503535
3-(4-nitrobenzamido)propanoic acid
AC-9162
AKOS000120570
4-nitrobenzoyl-beta-alanine
3-[(4-nitrobenzoyl)amino]propanoic acid
N-(4-Nitrobenzoyl)-beta-alanine
AKOS032953791
3-[(4-nitrophenyl)formamido]propanoic acid
3-(4-Nitrobenzamido)propionic Acid
Z85914349
D95435
STR04964
DTXSID70343673
FT-0640617
N-(4-Nitrobenzoy1)-beta-Alanine
b-Alanine, N-(4-nitrobenzoyl)-
N-(4-Nitrobenzoyl)-?alanine
N-(4-Nitrobenzoyl)-β-alanine
3-(4-Nitro-benzoylamino)-propionic acid
N-(4-Nitrobenzoyl)-ß-alanine
PDTLZWITKYGYDN-UHFFFAOYSA-N

MDL Number

MFCD00009794

Customs Code

2922499990

FAQ

What are the physical and chemical properties of Balsalazide Impurity 1 (CAS: 59642-21-6)?

Balsalazide Impurity 1 (CAS: 59642-21-6) is a crystalline solid with a molecular weight of approximately 481.4 g/mol. It is slightly soluble in water and organic solvents. This impurity is not highly reactive under normal conditions but may undergo hydrolysis in the presence of moisture.

How is Balsalazide Impurity 1 (CAS: 59642-21-6) typically synthesized?

Balsalazide Impurity 1 (CAS: 59642-21-6) is synthesized through a multistep process involving coupling reactions and sulfonation. Commonly, it is produced using reagents such as sulfuric acid and ammonia, with good selectivity and yield in the range of 90%.

What industries use Balsalazide Impurity 1 (CAS: 59642-21-6)?

Balsalazide Impurity 1 (CAS: 59642-21-6) is primarily used in the pharmaceutical industry, where it is a byproduct in the synthesis of the active pharmaceutical ingredient (API) balsalazide. It is also relevant in research and development for studying drug metabolism and impurity profiles.

What precautions should be taken when handling Balsalazide Impurity 1 (CAS: 59642-21-6)?

When handling Balsalazide Impurity 1 (CAS: 59642-21-6), it is advisable to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents and following the safety data sheet (SDS) guidelines.