1,2-Benzisothiazol-3(2H)-one Chemical Properties

Melting point:

154-158 °C(lit.)

Boiling point:

360°C (rough estimate)

Density 

1.2170 (rough estimate)

vapor pressure 

0Pa at 25℃

refractive index 

1.5500 (estimate)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

Soluble in dichloromethane, dimethyl sulfoxide, methanol.

pka

10.19±0.20(Predicted)

form 

Solid

color 

White to Light yellow to Light orange

Water Solubility 

1.288g/L at 20℃

InChIKey

DMSMPAJRVJJAGA-UHFFFAOYSA-N

LogP

0.7 at 20℃

CAS DataBase Reference

2634-33-5

EPA Substance Registry System

1,2-Benzisothiazolin-3-one (2634-33-5)

Safety Information

Hazard Codes 

Xn,N

Risk Statements 

22-38-41-43-50

Safety Statements 

24-26-37/39-61

RIDADR 

UN 3077 9/PG 3

WGK Germany 

2

RTECS 

DE4620000

HazardClass 

IRRITANT

HazardClass 

9

PackingGroup 

Ⅲ

HS Code 

29339900

Hazardous Substances Data

2634-33-5(Hazardous Substances Data)

Toxicity

LD50 oral in rat: 1020mg/kg

MSDS

• Language:English Provider:Benzisothiazolin-3-one
• Language:English Provider:SigmaAldrich

1,2-Benzisothiazol-3(2H)-one Usage And Synthesis

Description

BIT (1,2-Benzisothiazol-3(2H)-one) is an irritant and also a skin sensitizer. Occupational allergie contact dermatitis has been reported mainly related to the use of cutting oils and greases in paint manufacturers, pottery mouldmakers, acrylic emulsion manufacturers, plumbers, printers and lithoprinters, paper makers, an analyticallaboratory, a rubber factory, and in employees manufacturing air fresheners.

Chemical Properties

Yellow Powder

Uses

Antimicrobial agent.

Uses

Isothiazolinone BIT is widely used in industry as a preservative in water-based solutions, such as pastes, paints and cutting oils. It exists at different concentrations in the different Proxel AB, GXL, CRL, XL2, XL, HL, TN, and in Mergal K-10.

Definition

ChEBI: Benzo[d]isothiazol-3-one is an organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion. It has a role as a disinfectant, a platelet aggregation inhibitor, an environmental contaminant, a xenobiotic, a drug allergen and a sensitiser. It is an organonitrogen heterocyclic compound and an organic heterobicyclic compound.

Application

1,2-benzisothiazol-3(2H)-one (BIT) has been widely used in high concentrations for microbial growth control in many domestic and industrial processes, its potential eco-risk should be assessed.

General Description

1,2-Benzisothiazol-3(2H)-one is a commonly used biocide in industrial and consumer products, which possesses antimicrobial activity against gram positive and gram negative bacteria. It is mainly used in packaging, adhesives, detergents, disinfectants, sunscreen lotions, paints and lubricants.

Flammability and Explosibility

Not classified

Contact allergens

1,2-Benzisothiazol-3(2H)-one, both an irritant and a skin sensitizer, is widely used in industry as a preservative in water-based solutions such as pastes, paints, and cutting oils. Occupational dermatitis has been reported mainly due to cutting fluids and greases, in paint manufacturers, pottery moldmakers, acrylic emulsions manufacturers, plumber,printers and lithoprinters, paper makers, analytical laboratory, rubber factory, and employees manufacturing air fresheners. It is also a preservative in vinyl gloves.

Safety Profile

Moderately toxic by ingestion.When heated to decomposition it emits toxic vapors ofNOx and SOx.

Toxicity evaluation

Isothiazolinones, such as 1,2-benzisothiazol-3(2H)-one (BIT), are widely used as biocides for bacterial growth control in many domestic and industrial processes. Despite their advantages as biocides, they are highly toxic and pose a potential risk to the environment.  BIT could seriously inhibit the growth of Scenedesmus sp. LX1, Chlorella sp. HQ, and Chlamydomonas reinhardtii with half maximal effective concentrations at 72 h (72h-EC50) of 1.70, 0.41, and 1.16 mg/L, respectively. The primary inhibition mechanism was the BIT-induced damage to microalgal photosynthetic systems.

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