Introduction：Basic information about CAS 26180-28-9|3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid |
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| CAS Number | 26180-28-9 | Molecular Weight | 215.248 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 401.9±33.0 °C at 760 mmHg |
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| Molecular Formula | C13H13NO2 | Melting Point | / |
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| MSDS | / | Flash Point | 196.9±25.4 °C |
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Names
| Name | 3-(2,5-Dimethylpyrrol-1-yl)benzoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 401.9±33.0 °C at 760 mmHg |
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| Molecular Formula | C13H13NO2 |
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| Molecular Weight | 215.248 |
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| Flash Point | 196.9±25.4 °C |
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| Exact Mass | 215.094635 |
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| PSA | 42.23000 |
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| LogP | 3.68 |
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| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
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| Index of Refraction | 1.579 |
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| InChIKey | NJPUZFUOUGTNOV-UHFFFAOYSA-N |
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| SMILES | Cc1ccc(C)n1-c1cccc(C(=O)O)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DG9096716
- CHEMICAL NAME :
- Benzoic acid, m-(2,5-dimethylpyrrol-1-yl)-
- CAS REGISTRY NUMBER :
- 26180-28-9
- LAST UPDATED :
- 199803
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H13-N-O2
- MOLECULAR WEIGHT :
- 215.27
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRXXBL French Demande Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2054474
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Safety Information
Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| Benzoic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)- |
| 3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid |
