Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate structure
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Common Name | Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate | ||
|---|---|---|---|---|
| CAS Number | 360-54-3 | Molecular Weight | 210.07400 | |
| Density | 1.604 | Boiling Point | 90-91ºC | |
| Molecular Formula | C5H4F6O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 60ºC | |
Summary: Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate (Chinese name: 2-(三氟甲基)-3,3,3-三氟丙酸甲酯,CAS: 360-54-3) is an organic compound with molecular formula C5H4F6O2 and molecular weight 210.07400. Its boiling point is 90-91°C, and the density is 1.604. 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 | methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate |
|---|---|
| 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 | 1.604 |
|---|---|
| Boiling Point | 90-91ºC |
| Molecular Formula | C5H4F6O2 |
| Molecular Weight | 210.07400 |
| Flash Point | 60ºC |
| Exact Mass | 210.01200 |
| PSA | 26.30000 |
| LogP | 1.90020 |
| Index of Refraction | 1.269 |
| InChIKey | JGGBVFLRNNDHCM-UHFFFAOYSA-N |
| SMILES | COC(=O)C(C(F)(F)F)C(F)(F)F |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
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Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate
Revision number: 5.3
SAFETY DATA SHEET Section1. IDENTIFICATION Product name:Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate Revision number:5.3 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDS Category 2 Flammable liquids HEALTH HAZARDS Category 3 Acute toxicity (Oral) Skin corrosion/irritationCategory 2 Category 2A Serious eye damage/eye irritation ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordDanger Hazard statementsHighly flammable liquid and vapour Toxic if swallowed Causes skin irritation Causes serious eye irritation Precautionary statements: Keep away from heat/sparks/open flames/hot surfaces. - No smoking. [Prevention] Keep container tightly closed. Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary measures against ignition by the static discharge and the spark. Do not eat, drink or smoke when using this product. Wash hands thoroughly after handling. Wear protective gloves/eye protection/face protection. [Response]IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Rinse mouth. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation occurs: Get medical advice/attention. Take off contaminated clothing and wash before reuse. Methyl 2-(Trifluoromethyl)-3,3,3- trifluoropropionate Section2. HAZARDS IDENTIFICATION [Storage]Store in a well-ventilated place. Keep cool. Store locked up. [Disposal]Dispose of contents/container through a waste management company authorized by the local government. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance Substance/mixture: Components:Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate >98.0%(GC) Percent: CAS Number:360-54-3 2-(Trifluoromethyl)-3,3,3-trifluoropropionic Acid Methyl Ester , Methyl 2,2- Synonyms: Bis(trifluoromethyl)acetate , 2,2-Bis(trifluoromethyl)acetic Acid Methyl Ester Chemical Formula:C5H4F6O2 Section4. FIRST AID MEASURES Remove victim to fresh air and keep at rest in a position comfortable for breathing. Inhalation: Get medical advice/attention if you feel unwell. Remove/Take off immediately all contaminated clothing. Gently wash with plenty of Skin contact: soap and water. If skin irritation or rash occurs: Get medical advice/attention. Rinse cautiously with water for several minutes. Remove contact lenses, if present Eye contact: and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Unsuitable extinguishing Solid streams of water media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. from the chemical: Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Keep containers cool by spraying with water. Eliminate all ignition sources if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use extra personal protective equipment (self-contained breathing apparatus). Keep Personal precautions, protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non- emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Absorb spilled material in dry sand or inert absorbent before recovering it into an containment and cleaning airtight container. In case of large amount of spillage, contain a spill by bunding. up: Adhered or collected material should be promptly disposed of, in accordance with appropriate laws and regulations. Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in hazards:case of a fire. Use spark-proof tools and explosion-proof equipment. Section7. HANDLING AND STORAGE Precautions for safe handling Methyl 2-(Trifluoromethyl)-3,3,3- trifluoropropionate Section7. HANDLING AND STORAGE Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent generation of vapour or mist. Keep away from heat/sparks/open flame/hot surfaces. -No smoking. Take measures to prevent the build up of electrostatic charge. Use explosion-proof equipment. Wash hands and face thoroughly after handling. Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool, dark and well-ventilated place. Store locked up. Store away from incompatible materials such as oxidizing agents. Packaging material:Comply with laws. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Install a closed system or local exhaust. Also install safety shower and eye bath. Engineering controls: Personal protective equipment Respiratory protection: Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied air respirator, etc. Use respirators approved under appropriate government standards and follow local and national regulations. Hand protection:Impervious gloves. Safety goggles. A face-shield, if the situation requires. Eye protection: Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Liquid Clear Form: Colour:Colorless - Almost colorless No data available Odour: pH: No data available Melting point/freezing point:No data available Boiling point/range:88°C Flash point:No data available Flammability or explosive limits: Lower:No data available Upper:No data available Relative density:1.45 Solubility(ies): [Water]No data available [Other solvents]No data available Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Conditions to avoid:Spark, Open flame, Static discharge Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen fluoride products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:orl-mus LD50:300 mg/kg ipr-mus LD50:17 mg/kg ivn-mus LD50:15 mg/kg Methyl 2-(Trifluoromethyl)-3,3,3- trifluoropropionate Section11. TOXICOLOGICAL INFORMATION Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: No data available IARC = NTP =No data available No data available Reproductive toxicity: RTECS Number:NQ4690000 Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available No data available Algae: Persistence / degradability: No data available No data available Bioaccumulative potential(BCF): Mobility in soil Log Pow:No data available Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical incinerator equipped with an afterburner and scrubber system but exert extra care in igniting as this material is highly flammable. Observe all federal, state and local regulations when disposing of the substance Section14. TRANSPORT INFORMATION Hazards Class:3: Flammable liquid. Subsidiary risk:6.1: Toxic substance. UN-No:1992 Proper shipping name:Flammable liquid, toxic, n.o.s. Packing group:II Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. Methyl 2-(Trifluoromethyl)-3,3,3- trifluoropropionate SECTION 16 - ADDITIONAL INFORMATION N/A |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Risk Phrases | R36/37/38 |
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| Safety Phrases | S16;S26;S36/S37/S39 |
| RIDADR | UN 3272 |
| HS Code | 2915900090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~95%
Methyl 2-(Trifl... CAS#:360-54-3 |
| Literature: Misaki, Susumu; Takamatsu, Shuichi Journal of Fluorine Chemistry, 1984 , vol. 24, p. 531 - 534 |
|
~%
Methyl 2-(Trifl... CAS#:360-54-3 |
| Literature: Tetrahedron, , vol. 24, p. 1341 - 1356 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2915900090 |
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| Summary | 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| methyl 2-trifluoromethyl-3,3,3-trifluoropropanoate |
| Methyl hexafluoroisobutyrate |
| ISOBUTYRIC ACID,HEXAFLUORO-,METHYL ESTER |
| 2-(Trifluoromethyl)-3,3,3-trifluoropropionic Acid Methyl Ester |
| PC5184E |
| methyl 2-hydrohexafluoroisobutyrate |
| Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate |
| 2-hydrohexafluoroisobutyric acid methyl ester |
| Methyl 2,2-Bis(trifluoromethyl)acetate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate? |
| A: Molecular weight of methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is 210.07400. |
| Q: What is the molecular formula of methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate? |
| A: Molecular formula of methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is C5H4F6O2. |
| Q: What is the polar surface area (PSA) of methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate? |
| A: Polar surface area (PSA) of methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is 26.30000. |
| Q: What is the boiling point of methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate? |
| A: Boiling point of methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is 90-91ºC. |
| Q: What are the downstream products of methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate? |
| A: Related downstream products(CAS) of methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate: 420-56-4;107887-63-8;58932-91-5;107887-65-0;18830-44-9;5838-00-6;685-09-6;1186-73-8;81503-71-1;63616-71-7. |
| Q: What is the InChIKey of methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate? |
| A: InChIKey of methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is JGGBVFLRNNDHCM-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate? |
| A: SMILES notation of methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is COC(=O)C(C(F)(F)F)C(F)(F)F. |
| Q: What is the CAS number of methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate? |
| A: CAS number of methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is 360-54-3. |
| Q: What English synonyms does methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate have? |
| A: English synonyms of methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate: methyl 2-trifluoromethyl-3,3,3-trifluoropropanoate, Methyl hexafluoroisobutyrate, ISOBUTYRIC ACID,HEXAFLUORO-,METHYL ESTER, 2-(Trifluoromethyl)-3,3,3-trifluoropropionic Acid Methyl Ester, PC5184E, methyl 2-hydrohexafluoroisobutyrate, Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate, 2-hydrohexafluoroisobutyric acid methyl ester, Methyl 2,2-Bis(trifluoromethyl)acetate. |
| Q: What is the safety information for methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate? |
| A: Safety information for methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate: S16;S26;S36/S37/S39. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |