1,2-Benzothiazol-3(2H)-one 1,1-dioxide

Basic Information

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CAS Number

81-07-2

Molecular Formula

C7H5NO3S

Molecular Weight

183.19 g/mol

EINECS

201-321-0

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

Physical State

White

Melting Point

226-229 °C

Boiling Point

subl

Density

0.828

Water Solubility

3.3 g/L (20 ºC)

Solubility

acetone: soluble1g in 12mL(lit.)

Refractive Index

1.5500 (estimate)

Vapor Pressure

0Pa at 25℃

Odor

odorless

SMILES

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O=C1NS(=O)(=O)c2ccccc12

InChI

InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)

InChIKey

CVHZOJJKTDOEJC-UHFFFAOYSA-N

LogP

0.11869999999999997

pKa

11.68(at 18℃)

Topological Polar Surface Area

63.24 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

303

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Stability

Stable. Incompatible with strong oxidizing agents.

Sensitiveness

Sensitive to humidity

Toxicity

LD50 oral in mouse: 17gm/kg

Synonyms & References

English

SACCHARIN
SACCHARIN 550X
SACCHARINE
SACCHARINE INSOLUBLE
SACCHARIN INSOLUBLE
SYNCAL (R) SDI
O-BENZOIC ACID SULFIMIDE
O-BENZOIC SULFIMIDE
Benzo[d]isothiazol-3(2H)-one 1,1-dioxide
1,2-DIHYDRO-2-KETOBENZISOSULFONAZOLE
2,3-DIHYDROXY-1,2-BENZISOTHIAZOL-3-ONE-1,1-DIOXIDE
2-SULFOBENZOIC ACID IMIDE
AKOS 228-41
ANHYDRO-O-SULFAMINEBENZOIC ACID
BENZOIC SULPHIMIDE
GARANTOSE
GLUSIDE
INSOLUBLE SACCHARIN
O-SULFOBENZIMIDE
1,1-Diox-1,2-benzisothiazol-3-one
1,1-Dioxo-1,2-dihydro-1lambda*6*-benzo[d]-isothiazol-3-one
1,1-dioxo-1,2-benzisothiazol-3-one
1,1-dioxo-benzo[d]isothiazol-3-one
1,2-benzisothiazol-3(2H)-one-1,1-dioxide
1,2-benzisothiazol-3-one 1,1-dioxide
1,2-benzoisothiazol-3(2H)-one 1,1-dioxide
3-keto-2H,3H-1,2-benzisothiazole 1,1-dioxide
GLUCID
Glycosin
Kandiset
Natreen

MDL Number

MFCD00005866

EC Number

201-321-0

Customs Code

29251100

FAQ

What is 1,2-Benzothiazol-3(2H)-one 1,1-dioxide (CAS: 81-07-2)?

1,2-Benzothiazol-3(2H)-one 1,1-dioxide (CAS: 81-07-2) is a heterocyclic organic compound with the chemical formula C8H6N2O2S2. It features a benzothiazole ring with a ketone group and two sulfoxide functionalities, making it a versatile intermediate in chemical synthesis. The compound is known for its stability and reactivity in various reaction conditions, often used in pharmaceutical and industrial applications due to its unique structural properties.

What are the main uses of 1,2-Benzothiazol-3(2H)-one 1,1-dioxide (CAS: 81-07-2)?

1,2-Benzothiazol-3(2H)-one 1,1-dioxide (CAS: 81-07-2) is primarily used as a pharmaceutical intermediate for synthesizing drugs targeting fungal and bacterial infections. It also finds applications in the production of dyes, pesticides, and agrochemicals. In research settings, it serves as a building block for developing new materials and compounds with specific functional properties.

Is 1,2-Benzothiazol-3(2H)-one 1,1-dioxide (CAS: 81-07-2) safe?

1,2-Benzothiazol-3(2H)-one 1,1-dioxide (CAS: 81-07-2) is generally considered safe when handled properly, but it may have mild toxicity if ingested or inhaled. Protective measures such as gloves, goggles, and ventilation are recommended during use. Safety standards emphasize adherence to chemical exposure guidelines, and the compound should be stored securely to prevent accidental contact or contamination.

How should 1,2-Benzothiazol-3(2H)-one 1,1-dioxide (CAS: 81-07-2) be stored?

1,2-Benzothiazol-3(2H)-one 1,1-dioxide (CAS: 81-07-2) should be stored in a cool, dry place away from light. It is stable under standard conditions but requires airtight containers to prevent moisture ingress. Inert materials like glass or polyethylene are preferred for storage, and it should be kept at temperatures below 25°C to maintain chemical integrity and safety.