Name | Ethyl 2-hydroxy-4-(trifluoromethyl)-5-pyrimidinecarboxylate |
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Synonyms |
MFCD00052077
Ethyl 2-hydroxy-4-(trifluoromethyl)pyrimidine-5-carboxylate ethyl 2-oxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylate 5-Ethoxycarbonyl-4-(Trifluoromethyl)Pyrimidin-2(1H)-One Ethyl 2-hydroxy-4-trifluoromethylpyrimidine-5-carboxylate |
Density | 1.5g/cm3 |
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Boiling Point | 381.7ºC at 760mmHg |
Melting Point | 165 °C |
Molecular Formula | C8H7F3N2O3 |
Molecular Weight | 236.14800 |
Flash Point | 184.6ºC |
Exact Mass | 236.04100 |
PSA | 72.05000 |
LogP | 0.96540 |
Vapour Pressure | 2.27E-06mmHg at 25°C |
Index of Refraction | 1.499 |
Synonym:5-Ethoxycarbonyl-4-(trifluoromethyl)pyrimidin-2-(1H)-on Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 154934-97-1: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 176 - 178 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C8H7F3N2O3 Molecular Weight: 236.15 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, bases, acid chlorides. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 154934-97-1 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethyl 2-oxo-4-(trifluoromethyl)-1,2-dihydropyrimidine-5-carboxylate - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 154934-97-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 154934-97-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 154934-97-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
Hazard Codes | Xi: Irritant; |
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Risk Phrases | R36/37/38 |
Safety Phrases | S26-S36/37/39 |
HS Code | 2933599090 |
~69% 154934-97-1 |
Literature: LONZA AG Patent: WO2006/48297 A1, 2006 ; Location in patent: Page/Page column 5; 6 ; |
~45% 154934-97-1 |
Literature: Palanki; Erdman; Gayo-Fung; Shevlin; Sullivan; Goldman; Ransone; Bennett; Manning; Suto Journal of medicinal chemistry, 2000 , vol. 43, # 21 p. 3995 - 4004 |
~% 154934-97-1 |
Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 12, # 18 p. 2573 - 2577 |
~% 154934-97-1 |
Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 12, # 18 p. 2573 - 2577 |
Precursor 4 | |
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DownStream 5 | |
HS Code | 2933599090 |
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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% |