3-(4-Sulfamoylphenyl)propanoic acid

Basic Information

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CAS Number

90610-69-8

Molecular Formula

C9H11NO4S

Molecular Weight

229.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

164-166

SMILES

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C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)N

InChI

InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)

InChIKey

JUEONDBIBADVGD-UHFFFAOYSA-N

LogP

0.3512000000000003

Topological Polar Surface Area

97.46 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

312

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-(4-Sulfamoylphenyl)propanoic acid
3-(4-Sulfamoyl-phenyl)-propionic acid
Benzenepropanoic acid,4-(aminosulfonyl)-
p-Aminosulfonyldihydrocinnamic acid
4-(Aminosulfonyl)benzenepropanoic acid (ACI)
Hydrocinnamic acid, p-sulfamoyl- (7CI)
3-(4-Sulfamoylphenyl)propionic acid
3-(4-sulfamoylphenyl)propanoic acid
DB08156
P-CARBOXYETHYLBENZENESULFONAMIDE
CS-0157414
M28
BS-29648
4-(AMINOSULPHONYL)DIHYDROCINNAMIC ACID
MFCD06659895
BENZENEPROPANOIC ACID,4-(AMINOSULFONYL)-
BDBM29277
EN300-18539
PD004692
JUEONDBIBADVGD-UHFFFAOYSA-N
SR-01000368664-1
NS00069877
3-(4-sulfamoylphenyl)propanoicacid
Z65532673
Benzenepropanoic acid, 4-(aminosulfonyl)-
D95056
AKOS000140827
3-[4-(Aminosulfonyl)phenyl]propanoic Acid
AB26575
CHEMBL451332
HMS3604J11

MDL Number

MFCD06659895

Customs Code

2935009090

FAQ

What are the physical and chemical properties of 3-(4-Sulfamoylphenyl)propanoic acid (CAS: 90610-69-8)?

3-(4-Sulfamoylphenyl)propanoic acid is a white crystalline solid with a molecular weight of approximately 234.2 g/mol. It has a pKa of around 4.6 and is practically insoluble in water. The compound is a weak acid and shows moderate reactivity with bases. It is stable under normal conditions but should be stored in a cool, dry place to maintain its properties.

How is 3-(4-Sulfamoylphenyl)propanoic acid (CAS: 90610-69-8) typically synthesized?

3-(4-Sulfamoylphenyl)propanoic acid is typically synthesized by the condensation of 4-sulfamoylbenzoic acid with propionyl chloride followed by reduction of the resulting amide to an acid. Commonly used catalysts include triethylamine and catalytic amounts of sodium acetate. The yield is around 75-80%.

What industries use 3-(4-Sulfamoylphenyl)propanoic acid (CAS: 90610-69-8)?

3-(4-Sulfamoylphenyl)propanoic acid is used in the pharmaceutical industry for the synthesis of intermediates in drug development. It also finds applications in the polymer industry as a monomer for special polymers. Additionally, it is used in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3-(4-Sulfamoylphenyl)propanoic acid (CAS: 90610-69-8)?

When handling 3-(4-Sulfamoylphenyl)propanoic acid, it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and lab coat. The compound should be handled in a well-ventilated area or fume hood to avoid inhaling dust or vapors. In case of a spill, neutralize the acid with a base and dispose of the material according to local regulations. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal recommendations.