CAS Number368-54-7
Synonyms2-sulfanyl-6-(trifluoromethyl)pyrimidin-4-ol; 2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one; 2-Thioxo-6-(trifluoromethyl)-2,3-dihydro-4(1H)-pyrimidinone; MFCD00112978; 6-Hydroxy-2-mercapto-4-trifluoromethylpyrimidine; 2-Mercapto-6-(trifluoromethyl)pyrimidin-4-ol; 4-Hydroxy-2-mercapto-6-trifluoromethylpyrimidine
Molecular FormulaC5H3F3N2OS
Molecular Weight196.150
Purity95%
Density1.6±0.1 g/cm3
Boiling Point325.6±52.0 °C at 760 mmHg
Melting Point246-250 °C(lit.)
Appearancesolid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 368-54-7 |
| Catalog No. | 2A-9005863 |
| Chinese Name | 4-羟基-6-(三氟甲基)嘧啶-2-硫醇 |
| Synonyms | 2-sulfanyl-6-(trifluoromethyl)pyrimidin-4-ol; 2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one; 2-Thioxo-6-(trifluoromethyl)-2,3-dihydro-4(1H)-pyrimidinone; MFCD00112978; 6-Hydroxy-2-mercapto-4-trifluoromethylpyrimidine; 2-Mercapto-6-(trifluoromethyl)pyrimidin-4-ol; 4-Hydroxy-2-mercapto-6-trifluoromethylpyrimidine |
| Molecular Formula | C5H3F3N2OS |
| Molecular Weight | 196.150 |
| Purity | 95 |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 325.6±52.0 °C at 760 mmHg |
| Melting Point | 246-250 °C(lit.) |
| Appearance | solid |
| Water Solubility | Soluble in: methanol |
| Storage Condition | Store in inert gas; avoid air |
| HTC | 2933599090 |
| SMILES | O=c1cc(C(F)(F)F)[nH]c(=S)[nH]1 |
| InChI | InChI=1S/C5H3F3N2OS/c6-5(7,8)2-1-3(11)10-4(12)9-2/h1H,(H2,9,10,11,12) |
| InChI Key | YZAOETRYQWFEOY-UHFFFAOYSA-N |
| MSDS | msds/5863_1_368_54_7.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage:Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Not specified Appearance: Boiling point:No data Melting point:No data Flash point:No data Molecular formula:C5H3F3N2OS Molecular weight:196.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride, sulfur oxides. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Safety Information Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter Hazard Codes Xi: Irritant; Safety Phrases S26-S36 RIDADR NONH for all modes of transport WGK Germany 3 HS Code 2933599090 Synthetic Route Total: 1 Page CAS#:17356-08-0 Ethyl trifluoro... CAS#:372-31-6 2-sulfanyl-6-(t... CAS#:368-54-7 Literature: Khudina; Ivanova; Burgart; Slepukhin; Saloutin; Chupakhin; Kravchenko Russian Chemical Bulletin, 2013 , vol. 62, # 4 p. 1060 - 1065 Izvestiya Akademii Nauk. Seriya Khimicheskaya, 2013 , # 4 p. 1059 - 1064,6 Precursor & DownStream Precursor 1 CAS#:372-31-6 Ethyl trifluoro... DownStream 10 CAS#:85730-32-1 2-(Methylthio)-... CAS#:85730-36-5 2-Chloro-6-(tri... CAS#:672-45-7 6-(Trifluoromet... CAS#:672-41-3 6-(Trifluoromet... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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