Ethyl fluoroacetate 氟乙酸乙酯

CAS 459-72-3 MFCD00000450

化学结构图

459-72-3
SMILES: CCOC(=O)CF

化学属性

Mol. FormulaC₄H₇FO₂
Mol. Weight106.1
Refractive index1.3740 to 1.3780
Boiling Point117-118 °C (lit.)
Density1.098
Flash Point30°C
Solubility分解
Melting Point

别名和识别编码

Chemical NameEthyl fluoroacetate
CAS Number459-72-3
PubChem Substance ID87569840
EC Number207-297-8
Beilstein Registry Number1743761
MDL NumberMFCD00000450
Reaxys-RN1743761
Merck Number4167
Synonym Ethyl 2-fluoroacetate Ethyl fluoroacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation氟乙酸乙酯
Wiswesser Line NotationF1VO2
LabNetwork Molecule IDLN00222029
InChIInChI=1S/C4H7FO2/c1-2-7-4(6)3-5/h2-3H2,1H3
Canonical SMILESO=C(OCC)CF
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • {SNA} Alkyl Fluorinated Building Blocks, Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
  • Alkyl Fluorinated Building Blocks, Building Blocks,

产品应用

  • 医药工业用于5-氟尿嘧啶，5-氟嘧啶醇的合成。

相关文献及参考

  • Short: IV/18B
  • Short: III/38B
  • Merck: 14,4167 Beilstein:2,193
  • Short: IV/20A
  • Merck: 14,4167

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H300 Fatal if swallowed 吞食致命
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 6.1 T+ T+,N T+,T
RTECSAH7175000
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241+P242+P243
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P301+P310
  • P301+P330+P331+P310
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S13 Keep away from food, drink and animal foodstuffs 远离食品、饮料和动物饲料保存；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Risk Statements
  • R10 Flammable 易燃
  • R26/27/28 Very toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有剧毒
  • R28 Very toxic if swallowed 吞咽极毒
  • R50 Very toxic to aquatic organisms 对水生生物极毒
UN Number 2929
Packing GroupII
Hazard Class6.1/3
Storage condition -20 Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Warnings 危化品目录(2015) 危险化学品 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 19 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   11FYAN "Fluorine Chemistry, Volume III. Biological Effects of Organic
   Fluorides," Simons, J.H., ed., New York, Academic Press, Inc., 1963
   Volume(issue)/page/year: 3,59,1963

其他信息

  • 用途二:用作有机合成中间体。在医药工业用于5-氟尿嘧啶、5-氟嘧啶醇的合成，这两种药物都用于治疗恶性肿瘤。
  • 用途一:用作医药中间体，用于5-氟脲嘧啶、氟胞嘧啶的合成
  • Hazard Note:Toxic
  • 灭火剂:泡沫、干粉、二氧化碳
  • 类别:有毒物品
  • 上游原料:氯乙酸乙酯 --> 乙酰胺
  • 储运特性:库房通风低温干燥; 防潮; 与食品、氧化剂分开储运
  • Acros Organics:氟乙酸乙酯 Ethyl fluoroacetate, 97%(459-72-3)
  • 方法一:由氯乙酸乙酯与氟化钾作用而得。反应器内先加入乙酰胺，在油浴130-250℃加热搅拌30分钟，除去水分，再加入原料氯乙酸乙酯及氟化钾，缓缓升温，在搅拌下，通过分馏柱（分馏柱气温维持在115-120℃）蒸出反应生成物，再经分馏柱精馏，收集115-120℃的馏分即得。
  • 海关编码:29159080
  • Sigma Aldrich:459-72-3(sigmaaldrich)
  • MOL 文件:459-72-3.mol
  • MSDS 信息:氟乙酸乙酯(459-72-3).msds
  • 下游产品:5-氟脲嘧啶 --> 甲苯磺酸妥舒沙星 --> 4-羟基-5-氟嘧啶
  • 可燃性危险特性:明火可燃; 高热放出有毒氟化物气体; 遇水, 潮气分解形成腐蚀的氟化氢气体
  • F:21
  • 图谱信息:氟乙酸乙酯(459-72-3)红外图谱(IR1) 氟乙酸乙酯(459-72-3)核磁图( 13 CNMR) 氟乙酸乙酯(459-72-3)核磁图( 1 HNMR) 氟乙酸乙酯(459-72-3)质谱(MS)
  • 毒性分级:高毒
  • TCI Shanghai:氟乙酸乙酯 Ethyl Fluoroacetate,>;98.0%(GC)(459-72-3)
  • 外观性质:无色液体，有乙酸乙酯气味。
  • 急性毒性:腹腔-小鼠 LD50: 19 毫克/ 公斤
  • 氟乙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 F0030 氟乙酸乙酯 Ethyl Fluoroacetate 500ML 1700元 2014/06/02 F0030 氟乙酸乙酯 Ethyl Fluoroacetate 25ML 200元 2010/06/21 172660500 氟乙酸乙酯 Ethyl fluoroacetate 97% 50 GR 726元
  • 溶于水,水中分解。
  • 用途三:医药工业用于5-氟尿嘧啶，5-氟嘧啶醇的合成。

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C2 to C5 - Esters
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Others
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters
  6. C12 to C63

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