Introduction：Basic information about CAS 114686-12-3|Imitrodast, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Imitrodast |
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| CAS Number | 114686-12-3 | Molecular Weight | 260.31200 |
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| Density | 1.43g/cm3 | Boiling Point | 494.6ºC at 760 mmHg |
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| Molecular Formula | C13H12N2O2S | Melting Point | / |
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| MSDS | / | Flash Point | 252.9ºC |
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Names
| Name | 2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.43g/cm3 |
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| Boiling Point | 494.6ºC at 760 mmHg |
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| Molecular Formula | C13H12N2O2S |
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| Molecular Weight | 260.31200 |
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| Flash Point | 252.9ºC |
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| Exact Mass | 260.06200 |
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| PSA | 83.36000 |
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| LogP | 2.40710 |
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| Vapour Pressure | 1.33E-10mmHg at 25°C |
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| Index of Refraction | 1.718 |
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| InChIKey | KRBSZXUPPSXPAN-UHFFFAOYSA-N |
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| SMILES | O=C(O)C1=Cc2sc(Cn3ccnc3)cc2CC1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DL9602100
- CHEMICAL NAME :
- Benzo(b)thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)-
- CAS REGISTRY NUMBER :
- 114686-12-3
- LAST UPDATED :
- 199512
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C13-H12-N2-O2-S
- MOLECULAR WEIGHT :
- 260.33
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1880 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #94-192090
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2760 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #94-192090
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Synonyms
| Imitrodast |
| 4,5-dihydro-2-(1-imidazolyl)methylthianaphthene-6-carboxylic acid |
| 2-(1H-Imidazol-1-ylmethyl)-4,5-dihydrobenzo(b)thiophene-6-carboxylic acid |
| Benzo[b]thiophene-6-carboxylicacid,4,5-dihydro-2-(1H-imidazol-1-ylmethyl) |
| Imitrodast [INN] |
| 4,5-Dihydro-2-(imidazol-1-ylmethyl)benzo(b)thiophene-6-carboxylic acid |
| 2-(1h-imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid |
| UNII-JCQ5G1KFHN |
