Introduction：Basic information about CAS 480-68-2|5-Nitrobarbituric acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5-Nitrobarbituric acid |
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| CAS Number | 480-68-2 | Molecular Weight | 173.084 |
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| Density | 1.8±0.1 g/cm3 | Boiling Point | 303.69°C |
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| Molecular Formula | C4H3N3O5 | Melting Point | 180.5°C |
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| MSDS | / | Flash Point | / |
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Names
| Name | 5-Nitrobarbituric acid |
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| Synonym | More Synonyms |
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5-Nitrobarbituric acid BiologicalActivity
| Description | 5-Nitrobarbituric acid is a herpes simplex virus type-1 (HSV-1) inhibitor (IC50=1.7 μM)[1]. |
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| Related Catalog | Signaling Pathways >>Anti-infection >>HSVResearch Areas >>InfectionResearch Areas >>Inflammation/Immunology |
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| Target | HSV-1:1.7 μM (IC50) |
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| In Vitro | 5-Nitrobarbituric acid can inhibit vero cell growth[1]. Cell Cytotoxicity Assay[1] Cell Line: Vero cells Concentration: 0.06-5 μM Incubation Time: 2 hours Result: Showed high cytotoxicity to vero cells. |
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| References | [1]. J V de Julián-Ortiz, et al. Virtual combinatorial syntheses and computational screening of new potential anti-herpes compounds. J Med Chem. 1999 Aug 26;42(17):3308-14. |
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Chemical & Physical Properties
| Density | 1.8±0.1 g/cm3 |
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| Boiling Point | 303.69°C |
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| Melting Point | 180.5°C |
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| Molecular Formula | C4H3N3O5 |
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| Molecular Weight | 173.084 |
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| Exact Mass | 173.007263 |
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| PSA | 121.09000 |
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| LogP | -1.13 |
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| Index of Refraction | 1.581 |
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| InChIKey | ABICJYZKIYUWEE-UHFFFAOYSA-N |
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| SMILES | O=C1NC(=O)C([N+](=O)[O-])C(=O)N1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CQ7300000
- CHEMICAL NAME :
- Barbituric acid, 5-nitro-
- CAS REGISTRY NUMBER :
- 480-68-2
- BEILSTEIN REFERENCE NO. :
- 0180758
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C4-H3-N3-O5
- MOLECULAR WEIGHT :
- 173.10
- WISWESSER LINE NOTATION :
- T6VMVMV FHJ FNW
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01678
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Safety Information
| Risk Phrases | 36/37/38 |
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| Safety Phrases | S26-S36/37/39 |
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| RTECS | CQ7300000 |
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| HS Code | 2933540000 |
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Customs
| HS Code | 2933540000 |
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| Summary | 2933540000 other derivatives of malonylurea (barbituric acid); salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0% |
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Synonyms
| 5-nitro-2,4,6-pyrimidinetrione |
| EINECS 207-557-0 |
| 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro- |
| 5-Nitro-2,4,6(1H,3H,5H)-pyrimidinetrione |
| 5-Nitrobarbituric Acid Trihydrate |
| NITROBARBITURIC ACID |
| AURORA KA-3829 |
| 5-nitro-barbituricaci |
| 5-nitropyrimidine-2,4,6(1H,3H,5H)-trione |
| Dilituric Acid Trihydrate |
| 5-Nitrobarbiuricacid |
| MFCD00006667 |
| DILITURIC ACID |
| 5-NITRO-2,4,6-TRIHYDROXYPYRIMIDINE |
| 5-NitrobarbituricAcid |
