Bis(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)calcium hydrate (1:1) | CAS No. 6381-91-5

Bis(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)calcium hydrate (1:1)

Basic Information

CAS Number

6381-91-5

Molecular Formula

C14H10CaN2O7S2

Molecular Weight

422.45 g/mol

AD

Basic Physical Properties

c1ccc2c(c1)C(=O)N(S2(=O)=O)[Ca]N3C(=O)c4ccccc4S3(=O)=O.O

InChI

InChI=1S/2C7H5NO3S.Ca.H2O/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;;/h2*1-4H,(H,8,9);;1H2/q;;+2;/p-2

InChIKey

MQRKKLAGBPVXCD-UHFFFAOYSA-L

LogP

-0.6146999999999999

Topological Polar Surface Area

140.4 Ų

Hydrogen Bond Donor/Acceptor

2 / 9

Synonyms & References

English

  • Saccharin Calcium
  • Saccharin Calcium Hydrate
  • CALCIUM SACCHARIN HYDRATE
  • Saccharin Calcium Salt
  • SACCHARIN CALCIUM SALT CRYSTALLINE
  • SACCHARIN CALCIUM, USP STANDARD
  • CalciuM Saccharin,FCC
  • Saccharin Calcium (100 mg)
  • saccharin calcium usp
  • saccharin hemicalcium
  • Saccharin hemicalcium salt
  • SACCHARIN,HEMICALCIUM,1GM,NEAT
  • SACCHARINCALCIUM,CRYSTAL,USP
  • SACCHARINCALCIUM,FCC
  • 2,3-Dihydro-3-oxobenzisosulfonazole

MDL Number

MFCD00148975

FAQ

What are the physical and chemical properties of Bis(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)calcium hydrate (CAS: 6381-91-5)?

Bis(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)calcium hydrate (CAS: 6381-91-5) is a crystalline compound with a high molecular weight and moderate solubility in water. It exhibits good reactivity with acidic substances. The hydrate form adds stability but reduces its solubility. It has a melting point of around 300°C and is stable under normal laboratory conditions.

How is Bis(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)calcium hydrate (CAS: 6381-91-5) typically synthesized?

Bis(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)calcium hydrate (CAS: 6381-91-5) is synthesized through a multistep process involving the reaction of calcium metal with 1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl, followed by hydration. Commonly, the reaction is conducted in an inert atmosphere using a suitable solvent and a catalyst to ensure high selectivity and yield.

What industries use Bis(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)calcium hydrate (CAS: 6381-91-5)?

Bis(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)calcium hydrate (CAS: 6381-91-5) is used in pharmaceuticals for its anti-inflammatory and antioxidant properties, in polymers for enhancing material properties, and in sensors for its sensitivity to various analytes. It also finds applications in semiconductor manufacturing due to its electronic properties.

What precautions should be taken when handling Bis(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)calcium hydrate (CAS: 6381-91-5)?

When handling Bis(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)calcium hydrate (CAS: 6381-91-5), wear appropriate personal protective equipment (PPE) including gloves and safety goggles. Store it in a fume hood and avoid contact with moisture. In case of a spill, use appropriate absorbents and ensure proper disposal. Refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

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