Introduction：Basic information about CAS 550-74-3|Picrolonic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Picrolonic acid |
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| CAS Number | 550-74-3 | Molecular Weight | 264.194 |
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| Density | 1.7±0.1 g/cm3 | Boiling Point | 548.8±50.0 °C at 760 mmHg |
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| Molecular Formula | C10H8N4O5 | Melting Point | 119 °C |
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| MSDS | / | Flash Point | 285.7±30.1 °C |
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Names
| Name | Picrolonic Acid |
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| Synonym | More Synonyms |
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Picrolonic acid BiologicalActivity
| Description | Picrolonic acid is the reagent for the separation of amines as crystalline π-complexes. Pyrrolic acid is an analytical reagent for the determination of calcium, magnesium, lead, strontium and thorium. It is also used for the analysis of alkaloids, tryptophan and phenylalanine. |
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| Related Catalog | Research Areas >>Others |
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Chemical & Physical Properties
| Density | 1.7±0.1 g/cm3 |
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| Boiling Point | 548.8±50.0 °C at 760 mmHg |
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| Melting Point | 119 °C |
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| Molecular Formula | C10H8N4O5 |
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| Molecular Weight | 264.194 |
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| Flash Point | 285.7±30.1 °C |
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| Exact Mass | 264.049469 |
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| PSA | 124.31000 |
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| LogP | 0.49 |
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| Vapour Pressure | 0.0±1.5 mmHg at 25°C |
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| Index of Refraction | 1.714 |
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| InChIKey | OVFUUSPKWADLNJ-UHFFFAOYSA-N |
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| SMILES | CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1[N+](=O)[O-] |
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| Storage condition | Refrigerator (+4°C) |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UQ9510000
- CHEMICAL NAME :
- 2-Pyrazolin-5-one, 3-methyl-4-nitro-1-(p-nitrophenyl)-
- CAS REGISTRY NUMBER :
- 550-74-3
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C10-H8-N4-O5
- MOLECULAR WEIGHT :
- 264.22
- WISWESSER LINE NOTATION :
- T5NNVJ BR DNW& DNW E1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Mold - Aspergillus nidulans
- DOSE/DURATION :
- 250 mg/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 97,293,1982
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Safety Information
| Hazard Codes | Xn: Harmful; |
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| Risk Phrases | R68 |
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| Safety Phrases | S37/39-S26 |
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| RTECS | UQ9510000 |
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| HS Code | 2933199090 |
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Customs
| HS Code | 2933199090 |
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| Summary | 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-nitro-2-(4-nitrophenyl)- |
| 5-Methyl-4-nitro-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| 2,4-Dihydro-5-methyl-4-nitro-2-(4-nitrophenyl)-3H-pyrazol-3-one |
| EINECS 208-986-6 |
| Picrolonic acid |
| MFCD00003133 |
