Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate
Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate structure
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Common Name | Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 720-01-4 | Molecular Weight | 254.594 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 230.6±40.0 °C at 760 mmHg | |
| Molecular Formula | C8H6ClF3N2O2 | Melting Point | 36 °C | |
| MSDS | USA | Flash Point | 93.3±27.3 °C | |
Summary: Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate (Chinese name: 4-chloro-2-trifluoromethylpyrimidine-5-ethyl ester), CAS number: 720-01-4, molecular formula: C8H6ClF3N2O2, molecular weight: 254.594, melting point: 36 °C, boiling point: 230.6±40.0 °C, density: 1.4±0.1 g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 230.6±40.0 °C at 760 mmHg |
| Melting Point | 36 °C |
| Molecular Formula | C8H6ClF3N2O2 |
| Molecular Weight | 254.594 |
| Flash Point | 93.3±27.3 °C |
| Exact Mass | 254.006989 |
| PSA | 52.08000 |
| LogP | 1.51 |
| Vapour Pressure | 0.1±0.5 mmHg at 25°C |
| Index of Refraction | 1.466 |
| InChIKey | DSULCDCBENGHAX-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1cnc(C(F)(F)F)nc1Cl |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym: 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# 720-01-4: 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: colorless - pale yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 84 deg C @15mmHg Freezing/Melting Point: Not available. 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: C8H6ClF3N2O2 Molecular Weight: 255 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, reducing agents, bases, amines. Hazardous Decomposition Products: Hydrogen chloride, chlorine, hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 720-01-4 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-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# 720-01-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 720-01-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 720-01-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi:Irritant; |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36/37/39-S37/39 |
| HS Code | 2933599090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Ethyl 4-chloro-... CAS#:720-01-4 |
| Literature: SmithKline Beecham p.l.c. Patent: US2004/167142 A1, 2004 ; Location in patent: Page/Page column 23 ; |
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Ethyl 4-chloro-... CAS#:720-01-4 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 10, # 15 p. 1645 - 1648 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933599090 |
|---|---|
| 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% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate |
| MFCD00173897 |
| ethyl4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate? |
| A: Molecular formula of Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate is C8H6ClF3N2O2. |
| Q: What is the boiling point of Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate? |
| A: Boiling point of Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate is 230.6±40.0 °C at 760 mmHg. |
| Q: What is the safety information for Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate? |
| A: Safety information for Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate: S26-S36/37/39-S37/39. |
| Q: What is the English name of Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate? |
| A: The English name of Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate is Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate. |
| Q: What is the LogP of Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate? |
| A: LogP of Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate is 1.51. |
| Q: What is the molecular weight of Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate? |
| A: Molecular weight of Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate is 254.594. |
| Q: What is the InChIKey of Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate? |
| A: InChIKey of Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate is DSULCDCBENGHAX-UHFFFAOYSA-N. |
| Q: What is the CAS number of Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate? |
| A: CAS number of Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate is 720-01-4. |
| Q: What is the polar surface area (PSA) of Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate? |
| A: Polar surface area (PSA) of Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate is 52.08000. |
| Q: What is the SMILES notation of Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate? |
| A: SMILES notation of Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(C(F)(F)F)nc1Cl. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |