Introduction：Basic information about CAS 4845-58-3|6-nitro-1,3-benzothiazole-2-thiol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 6-nitro-1,3-benzothiazole-2-thiol |
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| CAS Number | 4845-58-3 | Molecular Weight | 212.249 |
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| Density | 1.6±0.1 g/cm3 | Boiling Point | 380.8±34.0 °C at 760 mmHg |
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| Molecular Formula | C7H4N2O2S2 | Melting Point | 249-253 °C |
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| MSDS | / | Flash Point | 184.1±25.7 °C |
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Names
| Name | 2-Mercapto-6-Nitrobenzothiazole |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
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| Boiling Point | 380.8±34.0 °C at 760 mmHg |
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| Melting Point | 249-253 °C |
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| Molecular Formula | C7H4N2O2S2 |
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| Molecular Weight | 212.249 |
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| Flash Point | 184.1±25.7 °C |
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| Exact Mass | 211.971420 |
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| PSA | 125.75000 |
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| LogP | 2.14 |
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| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
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| Index of Refraction | 1.789 |
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| InChIKey | QPOZGXKWWKLJDK-UHFFFAOYSA-N |
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| SMILES | O=[N+]([O-])c1ccc2[nH]c(=S)sc2c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DL6600000
- CHEMICAL NAME :
- 2-Benzothiazolethiol, 6-nitro-
- CAS REGISTRY NUMBER :
- 4845-58-3
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C7-H4-N2-O2-S2
- MOLECULAR WEIGHT :
- 212.25
- WISWESSER LINE NOTATION :
- T56 BN DSJ CSH GNW
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 25 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
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Safety Information
| Hazard Codes | T: Toxic; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S45-S36/37/39-S26 |
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| RTECS | DL6600000 |
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| HS Code | 2934999090 |
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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
| 6-Nitro-1,3-benzothiazole-2(3H)-thione |
| EINECS 204-405-5 |
| 2(3H)-Benzothiazolethione, 6-nitro- |
| 6-Nitrobenzo[d]thiazole-2-thiol |
| 6-Nitro-2-mercaptobenzothiazole |
| 6-nitro-1,3-benzothiazole-2-thiol |
| 2-benzothiazolethiol, 6-nitro- |
| 2-Mercapto-6-nitrobenzothiazole |
| 6-nitro-3H-1,3-benzothiazole-2-thione |
| MFCD00041850 |
| 6-Nitrobenzo[d]thiazole-2(3H)-thione |
