2-(1,2-Benzisoxazol-3-yl)acetic acid Chemical Properties

Melting point:

123 °C

Boiling point:

377.3±17.0 °C(Predicted)

Density 

1.394±0.06 g/cm3(Predicted)

storage temp. 

2-8°C

solubility 

soluble in Methanol

form 

powder to crystal

pka

3.60±0.30(Predicted)

color 

White to Light yellow to Light orange

InChI

InChI=1S/C9H7NO3/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12)

InChIKey

BVSIAYQIMUUCRW-UHFFFAOYSA-N

SMILES

O1C2=C(C=CC=C2)C(CC(O)=O)=N1

CAS DataBase Reference

4865-84-3(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-37/39

HazardClass 

IRRITANT

HS Code 

29349990

2-(1,2-Benzisoxazol-3-yl)acetic acid Usage And Synthesis

Chemical Properties

off-white solid

Uses

1,??2-??Benzisoxazol-??3-??ylacetic Acid-13C2 is the labeled analogue of 1,??2-??Benzisoxazol-??3-??ylacetic Acid. 1,??2-??Benzisoxazol-??3-??ylacetic Acid-13C2 is an intermediate in the synthesis of Zonisamide-13C2-15N (Z700003), the labeled analogue of Zonisamide (Z700000), a sulfonamide antiseizure agent; blocks repetitive firing of voltagesensitive sodium channels and reduces voltage-sensitive T-type calcium currents. Heterocyclic methanesulfonide with anticonvulsant properties. The compound is under investigation for potential therapeutic use as an antiepileptic drug. Anticonvulsant.

2-(1,2-Benzisoxazol-3-yl)acetic acid(4865-84-3)Related Product Information

• Ethyl phenylacetate
• Phenoxyacetic acid
• 4-Nitrophenylacetic acid
• 4-Hydroxyphenylacetic acid
• Ethyl 2-(Chlorosulfonyl)acetate
• 4-Methoxyphenylacetic acid
• Zonisamide
• BENZO[D]ISOXAZOL-3-YL-METHANESULFONYL CHLORIDE
• 1,2-Benzisoxazole-3-methanesulfonic acid sodium salt
• Methyl phenylacetate
• Allyl phenoxyacetate
• 2-Hydroxyphenylacetic acid
• Phenylacetic acid
• Acetic anhydride
• 1,2-BENZISOXAZOLE-3-ACETIC ACID,a-Bromo-1,2-benzisoxazole-3-acetic acid ,ALPHA-BROMO-1,2-BENZISOXAZOLE-3-ACETIC ACID
• 2-(1,2-Benzisoxazol-3-yl)acetic acid
• 3-(p-Chlorophenyl)-α-methyl-1,2-benzisoxazole-6-acetic acid
• 3-Phenyl-2,1-benzisoxazole-7-acetic acid