Introduction：Basic information about CAS 40991-34-2|1,2-benzothiazole-3-carboxylic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,2-benzothiazole-3-carboxylic acid |
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| CAS Number | 40991-34-2 | Molecular Weight | 179.19600 |
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| Density | 1.508g/cm3 | Boiling Point | 279.7ºC at 760 mmHg |
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| Molecular Formula | C8H5NO2S | Melting Point | / |
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| MSDS | USA | Flash Point | 122.9ºC |
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Names
| Name | 1,2-benzothiazole-3-carboxylic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.508g/cm3 |
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| Boiling Point | 279.7ºC at 760 mmHg |
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| Molecular Formula | C8H5NO2S |
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| Molecular Weight | 179.19600 |
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| Flash Point | 122.9ºC |
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| Exact Mass | 179.00400 |
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| PSA | 78.43000 |
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| LogP | 1.99450 |
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| Index of Refraction | 1.731 |
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| InChIKey | KTORKRBAIRTBCP-UHFFFAOYSA-N |
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| SMILES | O=C(O)c1nsc2ccccc12 |
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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 DATAACUTE 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
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Safety Information
Customs
| HS Code | 2934999090 |
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| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 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 |
