1,2-benzoxazol-3-ylmethanesulfonic acid;sodium salt

Basic Information

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CAS Number

73101-64-1

Molecular Formula

C8H6NNaO4S

Molecular Weight

235.19 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

275°C dec.

SMILES

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

InChI

InChI=1S/C8H7NO4S.Na/c10-14(11,12)5-7-6-3-1-2-4-8(6)13-9-7;/h1-4H,5H2,(H,10,11,12);/q;+1/p-1

InChIKey

QILCHBOPDIODSB-UHFFFAOYSA-M

LogP

1.95380

Complexity

302

Synonyms & References

English

73101-64-1
1,2-Benzisoxazole-3-methanesulfonate Sodium Salt
AMY13634
1,2-BENZISOXAZOLE-3-METHANESULFONIC ACID SODIUM SALT
Sodium 1,2-benzisoxazole-3-methanesulfonate
AKOS016003171
1, 2-Benzisoxazole-3-methane sulfonate sodium salt
DTXSID80223376
UNII-61MWM0KQ3O
QILCHBOPDIODSB-UHFFFAOYSA-M
Sodium Benzo[d]isoxazol-3-ylmethanesulfonate
1,2-Benzisoxazole-3-methanesulfonic acid, sodium salt (1:1)
benzo[d]isoxazol-3-yl-methanesulfonic acid sodium salt
FT-0601822
SY317140
FD7205
sodium (1,2-benzoxazol-3-yl)methanesulfonate
AS-66093
sodium;1,2-benzoxazol-3-ylmethanesulfonate
CS-0094712
AKOS015895591
SCHEMBL3237955
Sodium 3-Benzisoxazolylmethanesulfonate
61MWM0KQ3O
C8H6NNaO4S
sodium 1,2-benzoxazol-3-ylmethanesulfonate
1,2-Benzisoxazole-3-methanesulfonate sodium
Q27263359
A837715
1,2-Benzisoxazole-3-methanesulfonateSodiumSalt
MFCD07782146

MDL Number

MFCD07782146

Customs Code

2934999090

FAQ

What is 1,2-benzoxazol-3-ylmethanesulfonic acid; sodium salt (CAS: 73101-64-1)?

1,2-Benzoxazol-3-ylmethanesulfonic acid; sodium salt (CAS: 73101-64-1) is a chemical compound with the formula C8H7NaO3S2. It is a sodium salt of a sulfonic acid derivative containing a benzoxazole ring, known for its stability and solubility in water. This compound is commonly used in pharmaceutical and research contexts due to its functional group versatility.

What are the main uses of 1,2-benzoxazol-3-ylmethanesulfonic acid; sodium salt (CAS: 73101-64-1)?

This compound is primarily utilized in pharmaceuticals for drug development and as a key intermediate in the synthesis of bioactive molecules. It also finds applications in industrial processes, such as dye manufacturing, and in research for studying chemical reactivity. Its sulfonic acid group makes it valuable in creating compounds with specific binding or catalytic properties.

Is 1,2-benzoxazol-3-ylmethanesulfonic acid; sodium salt (CAS: 73101-64-1) safe?

While generally considered safe when handled properly, 1,2-benzoxazol-3-ylmethanesulfonic acid; sodium salt (CAS: 73101-64-1) may pose risks due to its potential to cause skin or eye irritation. Safety precautions include wearing protective gloves, goggles, and ensuring adequate ventilation. Always follow established safety protocols and consult chemical safety data sheets (SDS) for detailed information.

How should 1,2-benzoxazol-3-ylmethanesulfonic acid; sodium salt (CAS: 73101-64-1) be stored?

Store 1,2-benzoxazol-3-ylmethanesulfonic acid; sodium salt (CAS: 73101-64-1) in a cool, dry place, away from light and moisture. Keep it in a sealed container to maintain stability and prevent degradation. Avoid exposure to incompatible substances and ensure proper storage conditions to preserve its chemical integrity and safety.