2-(乙氧基亚甲基)-4,4,4-三氟-3-氧代丁酸乙酯,571-55-1，生产厂家，价格-洛克化工网移动版

2-(乙氧基亚甲基)-4,4,4-三氟-3-氧代丁酸乙酯

中文名称：: 2-(乙氧基亚甲基)-4,4,4-三氟-3-氧代丁酸乙酯

中文别名：: 乙氧基-2-亚甲基三氟乙酰乙酸乙酯;
3-乙氧基-2-(2,2,2-三氟乙酰基)丙烯酸乙酯;
2-(乙氧基亚甲基)-4,4,4-三氟-3-氧代丁酸乙酯

英文名称：: Butanoic acid,2-(ethoxymethylene)-4,4,4-trifluoro-3-oxo-, ethyl ester

英文别名：: Ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate;
Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate

CAS No.：: 571-55-1

分子式：: C₉H₁₁F₃O₄

分子量：: 240.18

精确分子量：: 240.06100

PSA：: 52.60000

MDL：: MFCD02677683

InChI：: InChI=1/C9H11F3O4/c1-3-15-5-6(8(14)16-4-2)7(13)9(10,11)12/h5H,3-4H2,1-2H3/b6-5+3

危险品标志：

风险术语：: R22;R36/37/38

安全术语：: S23;S26;S36/37/39

分子结构式：

SDS：: 查看

2-(乙氧基亚甲基)-4,4,4-三氟-3-氧代丁酸乙酯物化性质

密度：: 1.235 g/mL at 25 °C(lit.)
沸点：: 80-82 °C1 mm Hg(lit.)
闪点：: 220 °F
折射率：: n20/D 1.429(lit.)
其它信息：: 一、物性数据

1.         密度（g/mL ,25/4℃）：1.235

2.         闪点（℃）：104

3.         沸点（ºC,1mmHg）： 80-82

2-(乙氧基亚甲基)-4,4,4-三氟-3-氧代丁酸乙酯安全信息

海关代码：: 2918990090
WGK_Germany：: 3
德国有关水污染物质的分类清单
危险类别码：: R22;R36/37/38
安全说明：: S26-S36/37/39-S23
安全标志：: S23:不要吸入蒸汽。
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
:
危险标志：: Xn:Harmful;

2-(乙氧基亚甲基)-4,4,4-三氟-3-氧代丁酸乙酯 MSDS

Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate Revision number: 5.3
SAFETY DATA SHEET

Section 1. IDENTIFICATION
Product name: Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate
5.3

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified
  HEALTH HAZARDS
  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        Warning
  Hazard statements        Causes skin irritation
    Causes serious eye irritation
  Precautionary statements:
    Wash hands thoroughly after handling.
  [Prevention]
    Wear protective gloves/eye protection/face protection.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
  [Response]
    if present and easy to do. Continue rinsing.
    If eye irritation persists: Get medical advice/attention.
    IF ON SKIN: Gently wash with plenty of soap and water.
    If skin irritation occurs: Get medical advice/attention.
    Take off contaminated clothing and wash before reuse.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance
  Components:        Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate
  Percent:        >96.0%(GC)
  CAS Number:        571-55-1
  Synonyms:        2-(Ethoxymethylene)-4,4,4-trifluoro-3-oxobutyric Acid Ethyl Ester , Ethyl 3-Ethoxy-2-
    (2,2,2-trifluoroacetyl)acrylate , 3-Ethoxy-2-(2,2,2-trifluoroacetyl)acrylic Acid Ethyl
    Ester
  Chemical Formula:        C9H11F3O4
  Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-
  oxobutyrate

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.
    Get medical advice/attention if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
    soap and water. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        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.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    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
  from the chemical:        generate poisonous fume.
  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: Remove movable
    containers 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
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.
  protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
  emergency procedures: around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
  containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
  up: material should be promptly disposed of, in accordance with appropriate laws and
    regulations.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.
    Prevent generation of vapour or mist. Wash hands and face thoroughly after
    handling.
    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
    Keep container tightly closed. Store in a refrigerator.
  Storage conditions:
    Store away from incompatible materials such as oxidizing agents.
    Heat-sensitive
  Packaging material:        Comply with laws.

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Vapor respirator. Follow local and national regulations.
    Protective gloves.
  Hand protection:
  Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-
  oxobutyrate

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Eye protection: Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid
  Form:        Clear
  Colour:        Slightly pale yellow - Yellow
  Odour:        No data available
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        120°C/1.3kPa
  Flash point:        104°C
  Flammability or explosive
  limits:
  Lower:        No data available
  Upper:        No data available
  Relative density:        1.24
  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:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen fluoride
  products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available
  Skin corrosion/irritation: No data available
  Serious eye        No data available
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available
  NTP =        No data available
  Reproductive toxicity:        No data available

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  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
    No data available
  Soil adsorption (Koc):
  Henry's Law        No data available
  constant(PaM3/mol):
  Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-
  oxobutyrate

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. Observe all federal, state and local regulations when
    disposing of the substance.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations
    Not listed
  UN-No:

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.

SECTION 16 - ADDITIONAL INFORMATION
N/A

2-(乙氧基亚甲基)-4,4,4-三氟-3-氧代丁酸乙酯海关数据

中国海关编码：2918990090

概述：: 2918990090. 其他含其他附加含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素：: 品名, 成分含量, 用途
摘要/Summary：: 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2-(乙氧基亚甲基)-4,4,4-三氟-3-氧代丁酸乙酯分子结构与计算化学数据

分子结构数据

五、分子性质数据：

1、摩尔折射率：47.65

2、摩尔体积（m³/mol）：193.8

3、等张比容（90.2K）：446.6

4、表面张力（dyne/cm）：28.1

5、极化率（10^-24cm³）：18.89

计算化学数据

四、计算化学数据：

1、疏水参数计算参考值（XlogP）：3.5

2、氢键供体数量：1

3、氢键受体数量：2

4、可旋转化学键数量：4

5、拓扑分子极性表面积（TPSA）：37.3

6、重原子数量：15

7、表面电荷：0

8、复杂度：203

9、同位素原子数量：0

10、确定原子立构中心数量：0

11、不确定原子立构中心数量：1

12、确定化学键立构中心数量：0

13、不确定化学键立构中心数量：0

14、共价键单元数量：1

2-(乙氧基亚甲基)-4,4,4-三氟-3-氧代丁酸乙酯上游产品

原甲酸三乙酯三氟乙酰乙酸乙酯

2-(乙氧基亚甲基)-4,4,4-三氟-3-氧代丁酸乙酯下游产品

5-三氟甲基-1H-吡唑-4-羧酸 2-甲基-4-(三氟甲基)嘧啶-5-羧酸乙酯 4-甲基-2-羟基嘧啶-5-羧酸 1-苯基-5-三氟甲基-1H-吡唑-4-羧酸 1-(4-氯苯基)-5-三氟甲基-1H-吡唑-4-羧酸