2634-33-5

Name 1,2-Benzisothiazolin-3-one
CAS 2634-33-5
EINECS(EC#) 220-120-9
Molecular Formula C7H5NOS
MDL Number MFCD00127753
Molecular Weight 151.19
MOL File 2634-33-5.mol

Chemical Properties

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)

Safety Data

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 
Safety Statements 
RIDADR  UN 3077 9/PG 3
WGK Germany  2
RTECS  DE4620000
TSCA  TSCA listed
REACH Registrations Active
HazardClass  9
HazardClass  IRRITANT
PackingGroup  Ⅲ
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

Hazard Information

Material Safety Data Sheet(MSDS)

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