Introduction：Basic information about CAS 1044-49-1|2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole |
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| CAS Number | 1044-49-1 | Molecular Weight | 312.23700 |
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| Density | 1.466 g/cm3 | Boiling Point | 537.7ºC at 760 mmHg |
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| Molecular Formula | C14H8N4O5 | Melting Point | 310-312ºC |
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| MSDS | / | Flash Point | 279ºC |
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Names
| Name | 2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.466 g/cm3 |
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| Boiling Point | 537.7ºC at 760 mmHg |
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| Melting Point | 310-312ºC |
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| Molecular Formula | C14H8N4O5 |
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| Molecular Weight | 312.23700 |
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| Flash Point | 279ºC |
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| Exact Mass | 312.04900 |
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| PSA | 130.56000 |
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| LogP | 4.26640 |
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| Vapour Pressure | 4.34E-11mmHg at 25°C |
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| Index of Refraction | 1.643 |
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| InChIKey | NXVIYWNQRSLRGX-UHFFFAOYSA-N |
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| SMILES | O=[N+]([O-])c1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- RO0674000
- CHEMICAL NAME :
- 1,3,4-Oxadiazole, 2,5-bis(p-nitrophenyl)-
- CAS REGISTRY NUMBER :
- 1044-49-1
- BEILSTEIN REFERENCE NO. :
- 0329614
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C14-H8-N4-O5
- MOLECULAR WEIGHT :
- 312.26
- WISWESSER LINE NOTATION :
- T5NN DOJ CR DNW& ER DNW
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 39,858,1984
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Safety Information
| Risk Phrases | R20/21/22 |
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| Safety Phrases | 36 |
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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
| MFCD00173659 |
| 2,5-bis(4-nitrophenyl)-1,3,4-oxadiazole |
