Diethyl fluoromalonate 氟代丙二酸二乙酯

CAS 685-88-1 MFCD00009139

化学结构图

685-88-1
SMILES: CCOC(=O)C(F)C(=O)OCC

化学属性

Mol. FormulaC7H11FO4
Mol. Weight178.16
Boiling Point121-122°C at 760 mmHg
Refractive index1.4040 to 1.4080
Density1.129
Flash Point62°C
TSCANo

别名和识别编码

Chemical NameDiethyl fluoromalonate
CAS Number685-88-1
Alfabeta NameDIETHYLFLUOROMALONATE
MDL NumberMFCD00009139
PubChem Substance ID12702
EC Number211-684-7
Beilstein Registry Number1775686
Reaxys-RN1775686
Synonym Diethyl fluoromalonate {LY} Diethyl fluoromalonate {} {LY} Diethyl fluoromalonate {} {} {LY} Diethyl fluoromalonate {} {} {} {LY} Diethyl fluoromalonate {} {} {} {} {LY} Diethyl fluoromalonate {} {} {} {} {} {} {} {} {} {} {LY} Diethyl fluoromalonate {} {} {} {} {} {} {LY} Diethyl fluoromalonate {} {} {} {} {} {} {} {LY} Diethyl fluoromalonate {} {} {} {} {} {} {} {} {LY} Diethyl fluoromalonate {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Diethyl fluoromalonate {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Diethyl fluoromalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl fluoromalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl fluoromalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl fluoromalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl fluoromalonate {} {} {} {} {} {} {} {} {}
Chemical Name Translation氟代丙二酸二乙酯
Wiswesser Line Notation2OVYFVO2
LabNetwork Molecule IDLN00010147
InChIKeyGOWQBFVDZPZZFA-UHFFFAOYSA-N
Canonical SMILESCCOC(=O)C(C(=O)OCC)F
InChIInChI=1S/C7H11FO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
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分类

  • Alkyl Fluorinated Building Blocks, Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
  • {uni_hamburg} no charge; ester; 1fragment
  • {SNA} Alkyl Fluorinated Building Blocks, Building Blocks,

相关文献及参考

  • Beil. 2 ,IV,1899
  • Corp MSDS 1 (1), 1210:D / FT-IR 2 (1), 1071:C / FT-NMR 1 (1), 1024:B / RegBook 1 (1), 741:L / Sigma FT-IR 1 (2), 463:D / Structure Index 1 , 114:A:6 / Vapor Phase 3 , 698:A
  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.
  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and

安全信息

Warnings TOXIC, CORROSIVE
GHS Symbol
WGK Germany3
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes C C,T
RTECSOO1670000
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。
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P301+P330+P331
  • P302+P361+P354
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P310
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P316
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Safety Statements
Risk Statements
UN Number 3265
Packing GroupII
Hazard Class8 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 15 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   6,169,1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 70 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   6,169,1961

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • F:19
  • Acros Organics:氟代丙二酸二乙酯 Diethyl fluoromalonate, 97%(685-88-1)
  • Alfa Aesar:氟丙二酸二乙酯,97% Diethyl fluoromalonate, 97%(685-88-1)
  • MOL 文件:685-88-1.mol
  • 2-氟丙二酸二乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 F0283 氟丙二酸二乙酯 Diethyl Fluoromalonate 5G 3190元 2014/06/02 F0283 氟丙二酸二乙酯 Diethyl Fluoromalonate 25G 10190元 2014/06/02 F0283 氟丙二酸二乙酯 Diethyl Fluoromalonate 1G 1090元
  • Hazard Note:Corrosive
  • TCI Shanghai:氟丙二酸二乙酯 Diethyl Fluoromalonate,>;95.0%(GC)(685-88-1)
  • Sigma Aldrich:685-88-1(sigmaaldrich)

系列性分类

  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
  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. C6 to C7 - Esters
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Fluorous Chemistry 氟化学
  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. C2 to C5