2-氟丙酸乙酯 | 349-43-9

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酯及其衍生物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-氟丙酸乙酯
• 中文别名: 2-氟代丙酸乙酯
• 英文名称: ethyl 2-fluoropropionate
• 英文别名: 2-Fluor-propionsaeure-aethylester；ethyl 2-fluoropropanoate；ethyl α-fluoropropionate；Ethyl-2-fluor-propionat；α-Fluor-propionsaeure-aethylester
• CAS: 349-43-9
• 化学式: C₅H₉FO₂
• mdl: MFCD01320801
• 分子量: 120.124
• InChiKey: ODMITNOQNBVSQG-UHFFFAOYSA-N

物化性质

• 沸点：
  125°C
• 密度：
  0.997
• 闪点：
  29°C
• 稳定性/保质期：
  性质：密度为0.997，沸点125°C，闪点29°C。

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  FLAMMABLE
• 危险品标志：
  Xn
• 安全说明：
  S16
• 危险类别码：
  R22
• 海关编码：
  2915900090
• 危险品运输编号：
  3272
• WGK Germany：
  2
• 包装等级：
  III
• 危险类别：
  3
• 危险性防范说明：
  P501,P240,P210,P233,P243,P241,P242,P264,P280,P370+P378,P337+P313,P305+P351+P338,P362+P364,P303+P361+P353,P332+P313,P403+P235
• 危险性描述：
  H315,H319,H225
• 储存条件：
  存储条件为2~8℃，需在惰性气体氛围下进行。

SDS

Ethyl 2-Fluoropropionate Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: Ethyl 2-Fluoropropionate

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS
Category 3
Flammable liquids
HEALTH HAZARDS
Category 2
Skin corrosion/irritation
Serious eye damage/eye irritation Category 2A
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Warning
Hazard statements Flammable liquid and vapour
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.
Wash hands thoroughly after handling.
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 (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.
[Storage] Store in a well-ventilated place. Keep cool.
[Disposal] Dispose of contents/container through a waste management company authorized by
the local government.
Ethyl 2-Fluoropropionate

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: Ethyl 2-Fluoropropionate
Percent: >97.0%(GC)
CAS Number: 349-43-9
Synonyms: 2-Fluoropropionic Acid Ethyl Ester
Chemical Formula: C5H9FO2

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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.
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.
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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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: 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:

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Section 6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
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 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.

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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. 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.
Ethyl 2-Fluoropropionate

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Section 7. HANDLING AND STORAGE
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool, dark and well-ventilated place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Vapor respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Eye protection: Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Liquid
Form: Clear
Colour: Colorless - Pale yellow
Odour: No data available
pH: No data available
Melting point/freezing point:No data available
Boiling point/range: 121°C
Flash point: No data available
Flammability or explosive
limits:
No data available
Lower:
Upper: No data available
1.03
Relative density:
Solubility(ies):
[Water] No data available
[Other solvents] No data available

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Section 10. STABILITY AND REACTIVITY
Stable under proper conditions.
Chemical stability:
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:

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

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
Crustacea: No data available
Ethyl 2-Fluoropropionate

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Section 12. ECOLOGICAL INFORMATION
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
No data available
Log Pow:
Soil adsorption (Koc): No data available
No data available
Henry's Law
constant(PaM3/mol):

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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.

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Section 14. TRANSPORT INFORMATION
3: Flammable liquid.
Hazards Class:
UN-No: 3272
Esters, n.o.s.
Proper shipping name:
Packing group: III

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

2-氟丙酸乙酯是一种酯类有机物，可作为化工中间体使用。

反应信息

• 作为反应物：
  描述：

  2-氟丙酸乙酯 在 氯磺酸 、 邻苯二甲酰氯 作用下， 反应 4.0h， 以58.2%的产率得到(+/-)-2-fluoropropionyl chloride
  参考文献：
  名称：

  [EN] PROCESS FOR PREPARATION OF LACTONE DERIVATIVES AND INTERMEDIATES THEREOF
  [FR] PROCÉDÉ DE PRÉPARATION DE DÉRIVÉS DE LACTONE ET DE SES INTERMÉDIAIRES

  摘要：

  描述了一种用于制备内酯衍生物及其中间体的新型工艺。这些内酯衍生物是合成抗丙型肝炎病毒药物的重要前体，包括索非布韦。

  公开号：

  WO2018032356A1
• 作为产物：
  描述：

  L-2-((三氟甲基磺酰基)氧基)丙酸乙酯 在 tetrabutylammonium fluoride hydrofluoride 作用下， 以 二氯甲烷 为溶剂， 生成 2-氟丙酸乙酯
  参考文献：
  名称：

  Nucleophilic Fluorination of Triflates by Tetrabutylammonium Bifluoride

  摘要：

  Careful examination of nucleophilicity, basicity, and leaving group ability led us to discover the nucleophilic fluorination of triflates by weakly basic tetrabutylammonium bifluoride, which provides excellent yields with minimal formation of elimination-derived side products. Primary hydroxyl groups as well as secondary hydroxyl groups in acyclic chains or in five-membered rings are excellent substrates, whereas benzylic and aldol-type secondary hydroxyl groups give poor yields as a result of the instability of their triflates.

  DOI：

  10.1021/jo8015659

文献信息

• 亚氨基酸类PET显像剂及其制备方法与应用
  申请人：广东回旋医药科技股份有限公司

  公开号：CN103333079B

  公开（公告）日：2016-08-17

  本发明公开了一种亚氨基酸类正电子发射断层(PET)显像剂及其制备方法和应用，其属于N‑取代正电子核素标记谷氨基酸类化合物，其结构为：其中，L*＝‑11CH3，‑CH2CH218F，‑COCH(18F)CH3；新型显像剂N‑(2‑18F‑氟丙酰基)‑谷氨酸显示很好的肿瘤PET显像灵敏性和特异性，对肿瘤(如S180纤维肉瘤)有很高的摄取，并且体内其他组织器官(除膀胱外)摄取不明显，显示了高的肿瘤与本底比值。体内外实验表明N‑(2‑18F‑氟丙酰基)‑谷氨酸在体内外较稳定，显示了很好的药代动力学特性。
• Synthesis and antiviral activity of substituted bisaryl amide compounds as novel influenza virus inhibitors
  作者：Lan-hu Hao、Yan-ping Li、Wei-ying He、Hui-qiang Wang、Guang-zhi Shan、Jian-dong Jiang、Yu-huan Li、Zhuo-rong Li

  DOI：10.1016/j.ejmech.2012.07.008

  日期：2012.9

  pharmaceutical investigation. In this work, substituted bisaryl amide compounds were found to be a new class of potential anti-influenza agents, and a series of substituted bisaryl amide compounds were synthesised and evaluated for their anti-influenza virus activities. The analysis of the results produced a preliminary structure–activity relationship study (SAR). Compounds 1a, 1g, 1h, 1j, 1l and 1n exhibited

  每年，流感病毒都是致死和发病的持续原因，因此，它本身已成为药物研究的重要目标。在这项工作中，发现取代的双芳基酰胺化合物是一类潜在的抗流感药物，并且合成了一系列取代的双芳基酰胺化合物并评估了它们的抗流感病毒活性。结果分析产生了初步的结构-活性关系研究（SAR）。化合物1a，1g，1h，1j，1l和1n对甲型流感病毒（A /广东罗湖/ 219/2006，H1N1）表现出明显的抗病毒活性，抑制浓度为50％（IC50）用于病毒生长，范围从12.5到59.0μM。具体而言，化合物1j还具有抗耐奥司他韦的流感病毒（A / Jinnan / 15/2009）和B型流感病毒（B / Jifang / 13/97）的抗病毒活性，IC 50值分别为9.2μM和21.4μM。因此，化合物1j作为抗流感病毒的候选药物值得进一步研究。
• 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors
  申请人：Broughton Barff Howard

  公开号：US20070225267A1

  公开（公告）日：2007-09-27

  The present invention provides BACE inhibitors of Formula (I); methods for their use and preparation, and intermediates useful for their preparation.

  本发明提供了化学式（I）的BACE抑制剂；以及它们的使用和制备方法，以及用于它们制备的中间体。
• [EN] MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS<br/>[FR] COMPOSES MACROCYCLIQUES UTILES COMME PRODUITS PHARMACEUTIQUES
  申请人：EISAI CO LTD

  公开号：WO2003076424A1

  公开（公告）日：2003-09-18

  The present invention provides compounds having formula (I), and additionally provides methods for the synthesis thereof and methods for the use thereof in the treatment of various disorders including inflammatory or autoimmune disorders, and disorders involving malignancy or increased angiogenesis, wherein R1 -R11, t, X, Y, Z, and n are as defined herein.

  本发明提供具有式（I）的化合物，并另外提供其合成方法以及在治疗包括炎症性或自身免疫性疾病、恶性肿瘤或增加血管生成等各种疾病中使用的方法，其中R1-R11、t、X、Y、Z和n如本文所定义。
• [EN] SUBSTITUTED PYRIMIDINES AND TRIAZINES AS HERBICIDES<br/>[FR] PYRIMIDINES ET TRIAZINES SUBSTITUÉES UTILISÉES EN TANT QU'HERBICIDES
  申请人：FMC CORP

  公开号：WO2021183980A1

  公开（公告）日：2021-09-16

  Disclosed are compounds of Formula I, stereoisomers, TV-oxides, and salts thereof, wherein; A is selected from A-2, A-2, A-3, A-4, A-5, A-6, A-7, A-8, A-9 and A-10 and A, A-l, A-2, A-3, A-4, A-5, A-6, A-7, A-8, A-9, A-10, R1 through R20b, W, X and Y are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula I and methods for controlling undesired vegetation comprising contacting the undesired vegetation or its environment with an effective amount of a compound or a composition of the invention.

  公开的是Formula I的化合物，立体异构体，TV-氧化物及其盐，其中；A从A-2，A-2，A-3，A-4，A-5，A-6，A-7，A-8，A-9和A-10中选择，A，A-l，A-2，A-3，A-4，A-5，A-6，A-7，A-8，A-9，A-10，R1到R20b，W，X和Y如披露中定义。还公开了含有Formula I化合物的组合物以及用于控制不受欢迎植被的方法，包括将不受欢迎的植被或其环境与本发明的化合物或组合物的有效量接触。