Difluoromethylphosphonic acid diethyl ester, 98% 二氟甲烷膦酸二乙酯

CAS 1478-53-1 MFCD00192023

化学结构图

1478-53-1
SMILES: CCOP(=O)(OCC)C(F)F

化学属性

Mol. FormulaC5H11F2O3P
Mol. Weight188.11
Boiling Point96 °C at 15 mmHg
Density1.199
Refractive indexn20/D 1.388(lit.)
Melting Point

别名和识别编码

Chemical NameDifluoromethylphosphonic acid diethyl ester, 98%
CAS Number1478-53-1
Alfabeta NameDIETHYLDIFLUOROMETHANEPHOSPHONATE ()
MDL NumberMFCD00192023
Synonym Diethyl (difluoromethyl)phosphonate {LY} Diethyl (difluoromethyl)phosphonate {} {LY} Diethyl (difluoromethyl)phosphonate {} {} {LY} Diethyl (difluoromethyl)phosphonate {} {} {} {LY} Diethyl (difluoromethyl)phosphonate {} {} {} {} {LY} Diethyl (difluoromethyl)phosphonate {} {} {} {} {} {LY} Diethyl (difluoromethyl)phosphonate {} {} {} {} {} {} {LY} Diethyl (difluoromethyl)phosphonate {} {} {} {} {} {} {} {LY} Diethyl (difluoromethyl)phosphonate {} {} {} {} {} {} {} {} {LY} Diethyl (difluoromethyl)phosphonate {} {} {} {} {} {} {} {} {} {LY} Diethyl (difluoromethyl)phosphonate {} {} {} {} {} {} {} {} {} {} {LY} Diethyl (difluoromethyl)phosphonate {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl (difluoromethyl)phosphonate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl (difluoromethyl)phosphonate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl (difluoromethyl)phosphonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dieth
Chemical Name Translation二氟甲烷膦酸二乙酯
InChIKeyVVFGLBKYBBUTRO-UHFFFAOYSA-N
PubChem Substance ID2758305
LabNetwork Molecule IDLN00118285
InChIInChI=1S/C5H11F2O3P/c1-3-9-11(8,5(6)7)10-4-2/h5H,3-4H2,1-2H3
Canonical SMILESO=P(OCC)(C(F)F)OCC
EC Number
Beilstein Registry Number
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Difluoromethyl, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Phosphonates/Phosphinates, Phosphorus Compounds
  • Intermediates
  • Phosphorylating and Phosphitylating Agents
  • {uni_hamburg} no charge; 1fragment
  • Inhibitors

产品应用

  • Inhibitor of bacterial phosphotriesterases and an intermediate for the synthesis of 5?-diphosphate/5?-triphosphate mimics for transcriptase and glycerol kinase inhibition.

相关文献及参考

  • Beil. 2 ,IV,87
  • Durgam, G., et al.: J. Med. Chem., 48, 4919 (2005),
  • FT-IR 2 (1), 1563:A / Structure Index 1 , 171:C:1
  • Hong, S.B., et al.: J. Enz. Inhib., 13, (1998),
  • Short: III/35A Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Boron-11 and Phosphorus-31 Author: Gupta, R.R.; Jain, M.; Pardasani, P.; Pardasani, R.T.; Pelter, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35A Year: 1997 ISBN: 3-540-60366-2 ISBN: 978-3-540-60366-5 Internet Resource: DOI:10.1007/b53033 RefComment: VIII, 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/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 tab

安全信息

Warnings IRRITANT
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Precautionary statements
  • 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。
  • P264+P265
  • 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。
  • 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+P312
  • P301+P317
  • P301+P330+P331
  • P302+P352
  • P302+P361+P354
  • P303+P361+P353
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • 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。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P316
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P337+P313
  • P337+P317
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
UN Number
Hazard Codes
Signal word
Safety Statements
Risk Statements
RTECS
Packing Group

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Fluorinated Building Blocks 氟化物砌块
  4. Organic Fluorinated Building Blocks - Fluorinated Building Blocks
  5. Difluoromethyl - Organic Fluorinated Building Blocks
  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. Phosphorus Compounds 磷化合物
  5. Phosphonates/Phosphinates - Phosphorus Compounds
  1. Functional Group 官能团索引
  2. phosphonic acid derivative
  1. Functional Group 官能团索引
  2. phosphonic acid ester
  1. Functional Group 官能团索引
  2. orthocarboxylic acid derivative

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