Introduction：Basic information about CAS 53454-43-6|2,3-Dihydro-1,5-benzothiazepin-4(5H)-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one |
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| CAS Number | 53454-43-6 | Molecular Weight | 179.23900 |
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| Density | 1.227g/cm3 | Boiling Point | 365.3ºC at 760mmHg |
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| Molecular Formula | C9H9NOS | Melting Point | 217-218ºC |
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| MSDS | / | Flash Point | 174.7ºC |
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Names
| Name | 3,5-dihydro-2H-1,5-benzothiazepin-4-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.227g/cm3 |
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| Boiling Point | 365.3ºC at 760mmHg |
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| Melting Point | 217-218ºC |
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| Molecular Formula | C9H9NOS |
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| Molecular Weight | 179.23900 |
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| Flash Point | 174.7ºC |
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| Exact Mass | 179.04000 |
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| PSA | 54.40000 |
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| LogP | 2.25890 |
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| Index of Refraction | 1.601 |
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| InChIKey | VNUDPFLTWOKTKQ-UHFFFAOYSA-N |
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| SMILES | O=C1CCSc2ccccc2N1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DL0300000
- CHEMICAL NAME :
- 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-
- CAS REGISTRY NUMBER :
- 53454-43-6
- BEILSTEIN REFERENCE NO. :
- 0145791
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H9-N-O-S
- MOLECULAR WEIGHT :
- 179.25
- WISWESSER LINE NOTATION :
- T67 GMV KS&TJ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 750 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: AD691-490
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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
| 2,3,4,5-Tetrahydro-1,5-benzothiazepin-4-one |
| F2135-0215 |
