360-54-3 (Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate 2-(三氟甲基)-3,3,3-三氟丙酸甲酯,Methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate)

CAS号:
360-54-3
中文名称:
Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate 2-(三氟甲基)-3,3,3-三氟丙酸甲酯
英文名称:
Methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
安全信息:
分子式:
C5H4F6O2
分子量:
210.074482917786

Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate 2-(三氟甲基)-3,3,3-三氟丙酸甲酯(360-54-3)名称与标识符

名称

中文别名:
2-(三氟甲基)-3,3,3-三氟丙酸甲酯;2-(三氟甲基)-3,3,3-三幅丙酸甲酯;Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate 2-(三氟甲基)-3,3,3-三氟丙酸甲酯;2,2-双(三氟甲基)乙酸甲酯;
英文别名:
Methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate;Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate;Propanoic acid,3,3,3-trifluoro-2-(trifluoromethyl)-, methyl ester;2-(Trifluoromethyl)-3,3,3-trifluoropropionic Acid Methyl Ester;2-hydrohexafluoroisobutyric acid methyl ester;ISOBUTYRIC ACID,HEXAFLUORO-,METHYL ESTER;Methyl 2,2-Bis(trifluoromethyl)acetate;methyl 2-hydrohexafluoroisobutyrate;methyl 2-trifluoromethyl-3,3,3-trifluoropropanoate;Methyl hexafluoroisobutyrate;PC5184E;2,2-Bis(trifluoromethyl)acetic Acid Methyl Ester;Methyl 3,3,3-trifluoro-2-(trifluoromethyl)propionate;Propanoic acid, 3,3,3-trifluoro-2-(trifluoromethyl)-, methyl ester;ISOBUTYRIC ACID, HEXAFLUORO-, METHYL ESTER;JGGBVFLRNNDHCM-UHFFFAOYSA-N;2-(Methoxycarbonyl)-2H-perfluoropropane;Methyl bis(trifluoromethyl)acet;DTXSID0073168;EN300-263189;Methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate #;360-54-3;AKOS016015328;SCHEMBL3140450;AM81176;M2496;methyl 2-(trifluoromethyl)-3,3,3-trifluoropropanoate;3,3,3-Trifluoro-2-(trifluoromethyl)propanoic acid,methyl ester;CS-0007721;BRN 1787515;AS-42135;MFCD00054663;Methyl bis(trifluoromethyl)acetate;Methyl 2H-hexafluoro-2-methylpropanoate;4-02-00-00856 (Beilstein Handbook Reference);BBL103947;STL557757;

标识符

MDL:
MFCD00054663
InChIKey:
JGGBVFLRNNDHCM-UHFFFAOYSA-N
Inchi:
1S/C5H4F6O2/c1-13-3(12)2(4(6,7)8)5(9,10)11/h2H,1H3
SMILES:
FC(C(C(=O)OC)C(F)(F)F)(F)F
BRN:
1787515

Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate 2-(三氟甲基)-3,3,3-三氟丙酸甲酯(360-54-3)物化性质

实验特性

  • LogP : 1.90020
  • PSA : 26.30000
  • 折射率 : 1.269
  • 沸点 : 88°C(lit.)
  • 闪点 : 60°C
  • 颜色与性状 : 不可用
  • 溶解性 : 不可用
  • 密度 : 1.604

计算特性

  • 精确分子量 : 210.01200
  • 氢键供体数量 : 0
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 2
  • 同位素质量 : 210.01154834g/mol
  • 重原子数量 : 13
  • 复杂度 : 178
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.3
  • 拓扑分子极性表面积 : 26.3

Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate 2-(三氟甲基)-3,3,3-三氟丙酸甲酯(360-54-3)安全信息

Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate 2-(三氟甲基)-3,3,3-三氟丙酸甲酯(360-54-3)海关数据

海关编码:
2915900090
海关数据:

中国海关编码:

2915900090

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

检验检疫类别:

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%

Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate 2-(三氟甲基)-3,3,3-三氟丙酸甲酯(360-54-3)推荐厂家 更多厂家(11)

Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate 2-(三氟甲基)-3,3,3-三氟丙酸甲酯(360-54-3)相关文献

  • 1. Characterization of two polymorphic forms of tolfenamic acid, N-(2-methyl-3-chlorophenyl)anthranilic acid: their crystal structures and relative stabilities
    Kim Vilbour Andersen,Sine Larsen,B?rge Alhede,Niels Gelting,Ole Buchardt J. Chem. Soc. Perkin Trans. 2 1989 1443

Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate 2-(三氟甲基)-3,3,3-三氟丙酸甲酯(360-54-3)参考资料

Reaxys RN:
1787515
Beilstein:
M158816
PubChem CID:

Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate 2-(三氟甲基)-3,3,3-三氟丙酸甲酯(360-54-3) MSDS

基础信息

  Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate      Revision number: 5.3    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate    
    
  Revision number:        5.3    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 2
  Flammable liquids
  HEALTH HAZARDS
    Category 3
  Acute toxicity (Oral)
  Skin corrosion/irritation        Category 2    
    Category 2A
  Serious eye damage/eye irritation
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Danger    
  Hazard statements        Highly 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

Section 2. 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.

Section 3. 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    

Section 4. 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.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry 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 protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. 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.    

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Methyl 2-(Trifluoromethyl)-3,3,3-
  trifluoropropionate

Section 7. 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.    

Section 8. 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.

Section 9. 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    

Section 10. 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:

Section 11. 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

Section 11. TOXICOLOGICAL INFORMATION
  Skin corrosion/irritation: No data available
  Serious eye        No 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    

Section 12. 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 Law        No data available    
  constant(PaM3/mol):

Section 13. 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

Section 14. 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    

Section 15. 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