Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide

Basic Information

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CAS Number

68291-98-5

Molecular Formula

C8H7N2NaO3S

Molecular Weight

234.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

Not available

Boiling Point

457.2 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Flash Point

457.2 °C at 760 mmHg

Solubility

H2O: >5mg/mL

Vapor Pressure

0.0±1.1 mmHg at 25°C

SMILES

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C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)[NH-].[Na+]

InChI

InChI=1S/C8H7N2O3S.Na/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7;/h1-4H,5H2,(H-,9,11,12);/q-1;+1

InChIKey

ZVBIRPKGWOVBLG-UHFFFAOYSA-N

LogP

2.18320

Complexity

304

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

benzo[d]isoxazol-3-ylmethanesulfonamide, sodium salt
sodium;1,2-benzoxazol-3-ylmethylsulfonylazanide
DTXSID20399302
FT-0695366
AD 810 sodium;CI 912 sodium
AKOS025311205
HY-B0124A
Lopac-Z-2001
Zonisamide sodium salt
CS-1889
Zonisamide (sodium)
Zonisamide sodium salt, >=98% (HPLC), powder
1,2-Benzisoxazole-3-methanesulfonamide sodium-potassium salt Aleviatin sodium-potassium salt Exceglan sodium-potassium salt Excegram sodium-potassium salt
68291-98-5
NCGC00016211-01
CHEMBL1514931
1,2-Benzisoxazole-3-methanesulfonamide sodium salt
ZONISAMIDE F·S
AD 810 sodium
CI 912 sodium
sodium,1,2-benzoxazol-3-ylmethylsulfonylazanide
1,2-Benzisoxazole-3-methanesulfonamide sodium-potassium salt
Aleviatin sodium-potassium salt
Exceglan sodium-potassium salt
Excegram sodium-potassium salt
Zonisamide sodium

MDL Number

MFCD01744844

FAQ

What are the physical and chemical properties of Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide (CAS: 68291-98-5)?

Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide is a white crystalline powder with a molecular weight of approximately 313.25 g/mol. It has a high solubility in organic solvents like DMSO and DMF. This compound is known for its reactivity in nucleophilic substitution reactions. It is moderately stable under normal conditions but should be handled with care due to its reactivity.

How is Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide (CAS: 68291-98-5) typically synthesized?

Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide is usually synthesized by reacting sodium azide with 1,2-benzoxazol-3-ylmethyl sulfonyl chloride. The reaction typically proceeds in an aqueous medium with stirring, and the product is purified using recrystallization. Use of a mild base like sodium hydroxide can enhance the selectivity and yield of the product.

What industries use Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide (CAS: 68291-98-5)?

Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide is primarily used in pharmaceutical and chemical research. It serves as a useful reagent in the synthesis of various biologically active compounds, particularly in the development of drugs targeting specific enzymes. It can also be utilized in polymer synthesis and as a functional group in organic synthesis.

What precautions should be taken when handling Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide (CAS: 68291-98-5)?

When handling Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be done in a well-ventilated area or in a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbents, and the area should be flushed with water. Always refer to the material safety data sheet (MSDS) for detailed information on handling and storage.