Introduction：Basic information about CAS 13448-22-1|Clorotepine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Clorotepine |
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| CAS Number | 13448-22-1 | Molecular Weight | 344.90100 |
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| Density | 1.243g/cm3 | Boiling Point | 437.9ºC at 760mmHg |
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| Molecular Formula | C19H21ClN2S | Melting Point | / |
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| MSDS | / | Flash Point | 218.6ºC |
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Names
| Name | 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.243g/cm3 |
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| Boiling Point | 437.9ºC at 760mmHg |
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| Molecular Formula | C19H21ClN2S |
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| Molecular Weight | 344.90100 |
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| Flash Point | 218.6ºC |
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| Exact Mass | 344.11100 |
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| PSA | 31.78000 |
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| LogP | 4.21160 |
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| Vapour Pressure | 7.21E-08mmHg at 25°C |
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| Index of Refraction | 1.638 |
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| InChIKey | XRYLGRGAWQSVQW-UHFFFAOYSA-N |
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| SMILES | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TL1570000
- CHEMICAL NAME :
- Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4 -methyl-
- CAS REGISTRY NUMBER :
- 13448-22-1
- LAST UPDATED :
- 198910
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C19-H21-Cl-N2-S
- MOLECULAR WEIGHT :
- 344.93
- WISWESSER LINE NOTATION :
- T C676 BS&T&J FG I- AT6N DNTJ D1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 78 mg/kg
- TOXIC EFFECTS :
- Behavioral - ataxia
- REFERENCE :
- CCCCAK Collection of Czechoslovak Chemical Communications. (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1 7DX, UK) V.1- 1929- Volume(issue)/page/year: 48,144,1983 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 1080 mg/kg
- SEX/DURATION :
- female 2-19 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
- REFERENCE :
- THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 22,1429,1967
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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
| Clothepin |
| Clorotepine |
| Clotepin |
| clorothepin |
| Octoclothepine |
