5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
5-(Trifluoromethyl)uracil
CAS: 54-20-6
Molecular Formula: C5H3F3N2O2
5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione - Names and Identifiers
| Name | 5-(Trifluoromethyl)uracil |
| Synonyms | Trifluorothymine 5-Trifluoromethyl 5-Trifluorothymine 5-TRIFLUORMETHYL-URACIL 5-trifluoromethyluracil 5-(Trifluoromethyl)uracil 5-TRIFLUOROMETHYL-1H-PYRIMIDIN-2,4-DIONE 2,4-DIHYDROXY-5-TRIFLUOROMETHYL-1H-PYRIMIDINE 5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione 5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione 5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione 1,3,6-trifluoro-5-Methyl-1,2,3,4-tetrahydropyriMidine-2,4-dione |
| CAS | 54-20-6 |
| EINECS | 200-197-5 |
| InChI | InChI=1/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12) |
| InChIKey | LMNPKIOZMGYQIU-UHFFFAOYSA-N |
5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione - Physico-chemical Properties
| Molecular Formula | C5H3F3N2O2 |
| Molar Mass | 180.08 |
| Density | 1.5484 (estimate) |
| Melting Point | 245-246°C(lit.) |
| Water Solubility | INSOLUBLE |
| Solubility | methanol: soluble50mg/mL, clear |
| Appearance | White solid |
| Color | White to Orange to Green |
| BRN | 612694 |
| pKa | 6.63±0.10(Predicted) |
| Storage Condition | Sealed in dry,Store in freezer, under -20°C |
| Refractive Index | 1.427 |
| MDL | MFCD00006024 |
| Physical and Chemical Properties | Melting Point: 242 - 246 ℃ 251 - 254 ℃ |
5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/38 - Irritating to eyes and skin. R40 - Limited evidence of a carcinogenic effect R36/37/38 - Irritating to eyes, respiratory system and skin. R25 - Toxic if swallowed |
| Safety Description | S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | 2811 |
| WGK Germany | 3 |
| RTECS | YR1750000 |
| HS Code | 29335990 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
| Packing Group | Ⅲ |
| Toxicity | LD50 intraperitoneal in mouse: 800mg/kg |
5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| use | 5-trifluoromethyluracil is a pyrimidine derivative with the following uses: 1. It is used as an intermediate in medicine and pesticide; 2. It is used to synthesize pharmaceutical raw materials and other organic chemicals. |
Last Update：2024-04-09 20:52:54
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