Benzisothiazolone

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Names

[ Name ]:
Benzisothiazolone

[Synonym ]:
Benzisothiazolone
2,3-dihydro-3-oxo-1,2-benzisothiazole
benzo[d]isothiazol-3-one
Proxan
proxel
Proxel AB
proxil
1,2-Benzothiazol-3-ol
EINECS 220-120-9
Benzisothiazolone (BIT)
1,2-benzoisothiazolin-3-one
BIOCIDE--BIT
Proxel XL
MFCD00127753
T56 BSMVJ
Benzocil
1,2-benzisothiazol-3-one
1,2-Benzisothiazol-3(2H)-one
T56 BSNJ DQ
BIT
proxelpl
1,2-Benzisothiazolin-3-One
1,2-Benzothiazol-3(2H)-one
PROXELHL
1,2-Benzisothiazol-3-ol

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
204.5±23.0 °C at 760 mmHg

[ Melting Point ]:
154-158ºC

[ Molecular Formula ]:
C₇H₅NOS

[ Molecular Weight ]:
151.19

[ Flash Point ]:
77.5±22.6 °C

[ Exact Mass ]:
151.009186

[ PSA ]:
61.10000

[ LogP ]:
1.78

[ Vapour Pressure ]:
0.2±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.745

[ Water Solubility ]:
Soluble in dichloromethane, dimethyl sulfoxide, methanol.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DE4620000

CHEMICAL NAME :: 1,2-Benzisothiazol-3(2H)-one

CAS REGISTRY NUMBER :: 2634-33-5

LAST UPDATED :: 199710

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C7-H5-N-O-S

MOLECULAR WEIGHT :: 151.19

WISWESSER LINE NOTATION :: T56 BSMVJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1020 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PLRCAT Pharmacological Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1969- Volume(issue)/page/year: 3,385,1971

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1150 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PLRCAT Pharmacological Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1969- Volume(issue)/page/year: 3,385,1971 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9375 No. of Facilities: 4586 (estimated) No. of Industries: 57 No. of Occupations: 57 No. of Employees: 92923 (estimated) No. of Female Employees: 15307 (estimated)

Safety Information

[ Symbol ]:

GHS05, GHS07, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H315-H317-H318-H400

[ Precautionary Statements ]:
P273-P280-P301 + P312 + P330-P305 + P351 + P338 + P310-P333 + P313-P391

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22;R38;R41;R43;R50

[ Safety Phrases ]:
S24-S26-S37/39-S61

[ RIDADR ]:
UN 3077

[ WGK Germany ]:
2

[ RTECS ]:
DE4620000

[ Packaging Group ]:
III

[ HS Code ]:
2934200090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-sulfanylbenzamide
2-Chlorobenzonitrile
2-(methylthio)benzonitrile
Benzoyl chloride, 2-(chlorothio)- (9CI)
2-[(2-carbamoylphenyl)disulfanyl]benzamide
Dimethyl 2,2'-dithiobisbenzoate
methyl 2-(aminothio)benzoate
2-methylsulfanylbenzamide
ethyl 2-aminosulfanylbenzoate

DownStream

1-oxo-1,2-benzothiazol-3-one
3-(2-piperidin-1-ylethoxy)-1,2-benzothiazole
2-[(2-carbamoylphenyl)disulfanyl]benzamide
3-(1-Piperazinyl)-1,2-benzisothiazole
3-Chlor-1,2-benzisothiazol
Saccharin
2-phenyl-1,2-benzisothiazol-3-(2H)-one
2-prop-2-enyl-1,2-benzothiazol-3-one
2-Methyl-1,2-benzothiazol-3(2H)-one
PBIT

Preparation

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Benzisothiazolinone as a useful template for the design of new monoacylglycerol lipase inhibitors: investigation of the target residues and comparison with octhilinone.

Bioorg. Med. Chem. Lett. 21(24) , 7321-4, (2011)

The regulation of 2-arachidonoylglycerol (2-AG) levels is a major issue as 2-AG has been proven to participate in numerous physiopathological phenomena such as neuroprotection or analgesia. Octhilinon...

Solid-phase synthesis of benzisothiazolones as serine protease inhibitors.

Bioorg. Med. Chem. Lett. 9(5) , 663-6, (1999)

An efficient solid-phase synthesis of benzisothiazolone-1,1-dioxide-based serine protease inhibitors involving alkylation of carboxylic acids with N-(bromomethyl)benzisothiazolone-1,1-dioxide has been...

A colorimetric assay for high-throughput screening of inhibitors of herpes simplex virus type 1 alkaline nuclease.

Anal. Biochem. 293(2) , 239-45, (2001)

Herpes simplex virus type 1 (HSV-1) encodes a deoxyribonuclease that is frequently referred to as alkaline nuclease (AN) because of its elevated pH optimum. Studies with recombinant viruses which cont...

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