1,2-benzothiazole-3-carboxylic acid

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Names

[ CAS No. ]:
40991-34-2

[ Name ]:
1,2-benzothiazole-3-carboxylic acid

[Synonym ]:
acido 1,2-benzisotiazol-3-ilcarbossilico
benzisothiazole-3-carboxylic acid
1,2-benzoisothiazole-3-carboxylic acid
Acido 3-benzisotiazolcarbossilic
1,2-Benzisothiazole-3-carboxylic acid

Chemical & Physical Properties

[ Density]:
1.508g/cm3

[ Boiling Point ]:
279.7ºC at 760 mmHg

[ Molecular Formula ]:
C8H5NO2S

[ Molecular Weight ]:
179.19600

[ Flash Point ]:
122.9ºC

[ Exact Mass ]:
179.00400

[ PSA ]:
78.43000

[ LogP ]:
1.99450

[ Index of Refraction ]:
1.731

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DE4160900
CHEMICAL NAME :
1,2-Benzisothiazole-3-carboxylic acid
CAS REGISTRY NUMBER :
40991-34-2
BEILSTEIN REFERENCE NO. :
0136252
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H5-N-O2-S
MOLECULAR WEIGHT :
179.20

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
670 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 29,109,1974

Safety Information

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • benzo[d]isothiazole-3-carboxamide
  • Thiophenol
  • Benzo[b]thiophene-2,3-dione

DownStream

  • 5-Bromo-benzo[d]isothiazole-3-carboxylic acid

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%

Related Compounds

  • 6-bromo-1,2-benzothiazole-3-carboxylic acid
  • 5-nitro-1,2-benzothiazole-3-carboxylic acid
  • 5-bromo-1,2-benzothiazole-3-carboxylic acid
  • 4-Fluoro-1,2-benzothiazole-3-carboxylic acid
  • 6-chloro-1,2-benzothiazole-3-carboxylic acid
  • 6-oxo-2H-1,2-benzothiazole-3-carboxylic acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 2,2-dimethyl-10-(1-methyl-1H-imidazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • (2R)-2-{[(1RS,2SR)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohexyl]formamido}pentanoic acid
  • 2-(3-Formamidooxan-3-yl)acetic acid
  • 1-(1-{3-[(Dimethylamino)methyl]phenyl}cyclopropyl)ethan-1-one
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 5-{[(Tert-butoxy)carbonyl]amino}-3-(oxan-4-yl)-1,2-thiazole-4-carboxylic acid
  • 2-Propyl-octahydroindolizine-7-carboxylic acid
  • 3-(2-Chloro-3-methylphenyl)-3,3-difluoropropanoic acid