ChemicalBook--->CAS DataBase List--->2634-33-5

2634-33-5

2634-33-5 Structure

2634-33-5 Structure
IdentificationBack Directory
[Name]

1,2-Benzisothiazolin-3-one
[CAS]

2634-33-5
[Synonyms]

BIT
MFR
BIT-85
BIT-20
Proxan
proxel
proxil
proxelpl
PROXELHL
Benzocil
Proxel AB
Proxel XL
BIOCIDE--BIT
Acticide BIT
Apizas AP-DS
Canguard BIT
Bestcide 200K
Bioban BIT 20DPG
BENZISOTHIAZOLONE
Canguard BIT 20DPG
1,2-Benzisothiazol
BENZISOTHIAZOLINONE
1,2-Benzisothiazolin
Benzoisothiazol-3-one
1,2-Benzisothiazolone
1,2-benzothiazol-3-one
Benzisothiazolin-3-one
Benzo[d]Isothiazol-3-ol
1,2-Benzisothiazol-3-ol
1-Thia-2-azaindan-3-one
2-Benzisothiazolin-3-one
inhibitory receptor SHPS-1
Macrophage fusion receptor
1,2-BENZISOTHLAZOLIN-3-ONE
1,2-BENZISOTHIAZOLIN-3-ONE
1,2-BENZISOTHAZOL-3(2H)-ONE
1,2-benzisothiazoline-3-one
1.2-Benzisothiazol-3(2H)-on
Benziothiazolinone solution
Benzisothiazolin-3-on (BIT)
Benzo[d]isothiazol-3(2H)-one
Benzisothiazolin-3-one (BIT)
1,2-BENZOISOTHIAZOLINE-3-ONE
1,2-BENZISOTHIAZOLINON-3-ONE
1,2-BENZISOTHIAZOL-3(2H)-ONE
3-Hydroxy-1,2-benzisothiazole
1,2-BENZISOTHIAZOL-3-ONE (BIT)
1,2-Bezisothiazolin-3-One(Bit)
1,2-Benzisothiazolin-3-One(Bit)
1,2-Benzisothiazoline-3(2H)-one
2-Hydrobenzo[d]isothiazol-3-one
1,2-Benzisothiazolin-3-One(MIT)
1,2-benzo-isothiazolin-3-ketone
1,2-Benzisothiazol-3(2H)-one ,98%
Benziothiazolinone solution,100ppm
1,2-Benzisothiazol-3(2H-)-one
1,2-BENZISOTHIAZOL-3(2H)-ONE HYDRATE
2,3-Dihydro-1,2-benzisothiazole-3-one
Benzo[d]isothiazol-3(2H)-one, 98% 99%
1,2-BENZISOTHIAZOLIN-3-ONE (BIT) 98.5%
1,2-Benisothiazolin-3-One-2-Sodium Salt
Anti-SIRP α1, C-Terminal antibody produced in rabbit
1,2-Benzisothiazol-3(2H)-one [for BiocheMical Research]
1,2-benzisothiazol-3(2H)-one 1,2-benzisothiazolin-3-one
brain Ig-like molecule with tyrosine-based activation motifs
2$l^{4}-thia-6-azatricyclo[5.4.0.0^{2,6}]undeca-1(7),8,10-trien-5-one
[EINECS(EC#)]

220-120-9
[Molecular Formula]

C7H5NOS
[MDL Number]

MFCD00127753
[MOL File]

2634-33-5.mol
[Molecular Weight]

151.19
Chemical PropertiesBack Directory
[Appearance]

Yellow Powder
[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. ]

-20°C Freezer
[solubility ]

Soluble in dichloromethane, dimethyl sulfoxide, methanol.
[form ]

neat
[pka]

10.19±0.20(Predicted)
[color ]

White to Light yellow to Light orange
[biological source]

rabbit
[Water Solubility ]

1.288g/L at 20℃
[Major Application]

cleaning products
cosmetics
environmental
food and beverages
personal care
[Cosmetics Ingredients Functions]

ANTIMICROBIAL
[InChI]

1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
[Contact allergens]

BIT, 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.
[InChIKey]

DMSMPAJRVJJAGA-UHFFFAOYSA-N
[SMILES]

Oc1nsc2ccccc12
[LogP]

0.7 at 20℃
[CAS DataBase Reference]

2634-33-5
[EPA Substance Registry System]

1,2-Benzisothiazolin-3-one (2634-33-5)
Hazard InformationBack Directory
[Chemical Properties]

Yellow Powder
[Uses]

Antimicrobial agent.
[Definition]

ChEBI: 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.
[Description]

BIT 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.
[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]

Notclassified
[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.
[Toxics Screening Level]

The Initial Threshold Screening Level (ITSL) for 1,2-benzisothiazol-3(2H)-one of 0.1 μg/m3 with annual averaging time is being rescinded.
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)Environment (GHS09)
GHS05,GHS07,GHS09
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H317-H318-H400
[Precautionary statements ]

P261-P273-P280-P301+P312-P302+P352-P305+P351+P338
[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
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HazardClass ]

9
[HazardClass ]

IRRITANT
[PackingGroup ]

[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Acute 1
Eye Dam. 1
Skin Irrit. 2
Skin Sens. 1
[Hazardous Substances Data]

2634-33-5(Hazardous Substances Data)
[Reaction]

  1. Sequential asymmetric hydrogenation reactions with solution or polymer-bound BINAP/Diamine complexes.
  2. Asymmetic hydrogenation of imines.
  3. Catalysts for deracemization of benzylic alcohols. 
[Toxicity]

LD50 oral in rat: 1020mg/kg
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,2-Benzisothiazolin-3-one(2634-33-5).msds
Spectrum DetailBack Directory
[Spectrum Detail]

1,2-Benzisothiazol-3(2H)-one(2634-33-5)MS
1,2-Benzisothiazol-3(2H)-one(2634-33-5)1HNMR
1,2-Benzisothiazol-3(2H)-one(2634-33-5)13CNMR
1,2-Benzisothiazol-3(2H)-one(2634-33-5)IR1
1,2-Benzisothiazol-3(2H)-one(2634-33-5)IR2
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