Introduction：Basic information about CAS 1136-45-4|5-Methyl-3-phenyl-1,2-oxazole-4-carboxylic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5-Methyl-3-phenyl-1,2-oxazole-4-carboxylic acid |
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| CAS Number | 1136-45-4 | Molecular Weight | 203.194 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 365.0±37.0 °C at 760 mmHg |
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| Molecular Formula | C11H9NO3 | Melting Point | 192-194 °C(lit.) |
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| MSDS | / | Flash Point | 174.5±26.5 °C |
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Names
| Name | 5-Methyl-3-Phenylisoxazole-4-Carboxylic Acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 365.0±37.0 °C at 760 mmHg |
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| Melting Point | 192-194 °C(lit.) |
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| Molecular Formula | C11H9NO3 |
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| Molecular Weight | 203.194 |
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| Flash Point | 174.5±26.5 °C |
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| Exact Mass | 203.058243 |
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| PSA | 63.33000 |
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| LogP | 1.16 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.579 |
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| InChIKey | PENHKTNQUJMHIR-UHFFFAOYSA-N |
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| SMILES | Cc1onc(-c2ccccc2)c1C(=O)O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NY2750000
- CHEMICAL NAME :
- Isoxazole-4-carboxylic acid, 5-methyl-3-phenyl-
- CAS REGISTRY NUMBER :
- 1136-45-4
- BEILSTEIN REFERENCE NO. :
- 0164939
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C11-H9-N-O3
- MOLECULAR WEIGHT :
- 203.21
- WISWESSER LINE NOTATION :
- T5NOJ C1 DVQ ER
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1500 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,781,1962
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 15,322,1965
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Safety Information
| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R22 |
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| Safety Phrases | S24/25-S36/37-S22 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | NY2750000 |
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| HS Code | 2934999090 |
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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
| 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl- |
| MFCD00003153 |
| EINECS 214-497-9 |
| 5-Methyl-3-phenyl-1,2-oxazole-4-carboxylic acid |
| 5-Methyl-3-phenylisoxazole-4-carboxylic acid |
