Introduction：Basic information about CAS 101506-83-6|Namirotene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Namirotene |
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| CAS Number | 101506-83-6 | Molecular Weight | 286.38900 |
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| Density | 1.17g/cm3 | Boiling Point | 431.1ºC at 760mmHg |
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| Molecular Formula | C17H18O2S | Melting Point | / |
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| MSDS | / | Flash Point | 214.5ºC |
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Names
| Name | 4-[(E)-2-(5-propan-2-ylthiophen-2-yl)prop-1-enyl]benzoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.17g/cm3 |
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| Boiling Point | 431.1ºC at 760mmHg |
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| Molecular Formula | C17H18O2S |
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| Molecular Weight | 286.38900 |
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| Flash Point | 214.5ºC |
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| Exact Mass | 286.10300 |
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| PSA | 65.54000 |
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| LogP | 5.13020 |
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| Vapour Pressure | 3.39E-08mmHg at 25°C |
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| Index of Refraction | 1.624 |
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| InChIKey | GDDUESKGWJTHLR-ZRDIBKRKSA-N |
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| SMILES | CC(=Cc1ccc(C(=O)O)cc1)c1ccc(C(C)C)s1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DH3854000
- CHEMICAL NAME :
- Benzoic acid, 4-(2-(5-(1-methylethyl)-2-thienyl)-1-propenyl)-, (E)-
- CAS REGISTRY NUMBER :
- 101506-83-6
- LAST UPDATED :
- 199406
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C17-H18-O2-S
- MOLECULAR WEIGHT :
- 286.41
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 290 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 11,557,1986
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Synonyms
| p-((E)-2-(5-Isopropyl-2-thienyl)propenyl)benzoic acid |
| Benzoic acid,4-(2-(5-(1-methylethyl)-2-thienyl)-1-propenyl)-,(E) |
| Namirotene |
| (E)-4-(2-(5-(1-Methylethyl)-2-thienyl)-1-propenyl)benzoic acid |
| (E)-4-(2-(2-Isopropyl-5-thienyl)propenyl)benzoic acid |
| Cbs 211 A |
| UNII-1FG8FGL0YI |
| Namirotene [INN] |
