360-54-3

• 常用中文名：2-(三氟甲基)-3,3,3-三氟丙酸甲酯
• 常用英文名：Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate
• CAS号：360-54-3
• 分子式：C₅H₄F₆O₂
• 分子量：210.07400
• 发布时间：2019-01-10 10:13:24
• 更新时间：2024-01-02 20:51:19

名称

• 中文名: 2-(三氟甲基)-3,3,3-三幅丙酸甲酯
• 英文名: methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
• 中文别名: 2-(三氟甲基)-3,3,3-三氟丙酸甲酯
• 英文别名: 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

物化性质

• 密度: 1.604
• 沸点: 90-91ºC
• 分子式: C₅H₄F₆O₂
• 分子量: 210.07400
• 闪点: 60ºC
• 精确质量: 210.01200
• PSA: 26.30000
• LogP: 1.90020
• 折射率: 1.269
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：27.86

  2、 摩尔体积（m³/mol）：147.7

  3、 等张比容（90.2K）：300.4

  4、 表面张力（dyne/cm）：17.1

  5、 极化率（10 ^-24cm ³）：11.04

• 更多:

  一、物性数据

  性状：不可用

  密度（g/mL,25/4℃）：1.604

  相对蒸汽密度（g/mL,空气=1）：不可用

  熔点（ºC）：不可用

  沸点（ºC,常压）：90-91

  沸点（ºC,5.2kPa）：不可用

  折射率：1.269

  闪点（ºC）：60

  比旋光度（º）：不可用

  自燃点或引燃温度（ºC）：不可用

  蒸气压（kPa,25ºC）：不可用

  饱和蒸气压（kPa,60ºC）：不可用

  燃烧热（KJ/mol）：不可用

  临界温度（ºC）：不可用

  临界压力（KPa）：不可用

  油水（辛醇/水）分配系数的对数值：不可用

  爆炸上限（%,V/V）：不可用

  爆炸下限（%,V/V）：不可用

  溶解性：不可用

MSDS

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

毒性和生态

毒理学数据: 二、毒理学数据： 急性毒性：不可用。 生态学数据: 三、生态学数据： 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : NQ4690000 CHEMICAL NAME : Isobutyric acid, hexafluoro-, methyl ester CAS REGISTRY NUMBER : 360-54-3 BEILSTEIN REFERENCE NO. : 1787515 LAST UPDATED : 199612 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C5-H4-F6-O2 MOLECULAR WEIGHT : 210.09 WISWESSER LINE NOTATION : FXFFYXFFFVO1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 300 mg/kg TOXIC EFFECTS : Behavioral - tremor Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,114,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 17 mg/kg TOXIC EFFECTS : Behavioral - tremor Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,114,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 15 mg/kg TOXIC EFFECTS : Behavioral - tremor Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,114,1969

安全

• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S16;S26;S36/S37/S39
• 危险品运输编码: UN 3272
• 海关编码: 2915900090

合成路线

382-26-3 ~95% 360-54-3

文献：Misaki, Susumu; Takamatsu, Shuichi Journal of Fluorine Chemistry, 1984 , vol. 24, p. 531 - 534

67-56-1 17530-33-5 ~% 360-54-3

文献：Tetrahedron, , vol. 24, p. 1341 - 1356

上下游产品

上游产品  2
382-26-3 67-56-1
下游产品  10
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

海关

海关编码	2915900090
中文概述	2915900090. 其他饱和无环一元羧酸及其酸酐（酰卤、过氧）化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
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%