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DIFLUOROMETHYLPHOSPHONICACIDDIETHYLESTER

DIFLUOROMETHYLPHOSPHONICACIDDIETHYLESTER structure

DIFLUOROMETHYLPHOSPHONICACIDDIETHYLESTER 

structure
  • CAS No:

    1478-53-1

  • Formula:

    C5H11F2O3P

  • Chemical Name:

    DIFLUOROMETHYLPHOSPHONICACIDDIETHYLESTER

  • Synonyms:

    diethyl(difluoromethyl)phosphonate;DIETHYL(DIFLUOROMETHANE)PHOSPHONATE;DIETHYL(DIFLUOROMETHYL)PHOSPHONATE96%;DIFLUOROMETHYLPHOSPHONICACIDDIETHYLESTER;P-DifluoroMethylphosphonicAcidDiethylEster

  • Categories:

    Organic Chemistry  >  Phosphines

DIFLUOROMETHYLPHOSPHONICACIDDIETHYLESTER Basic Attributes

188.11

188.041382

DTXSID20163803

2931900090

Characteristics

45.34000

0.79

1.2±0.1 g/cm3

96°C15mm

113 °C

1.368

2-8°C

Safety Information

IRRITANT

3265

34

26-36/37/39

Xi

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, P501

H302

|Danger|H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P337+P313, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

DIFLUOROMETHYLPHOSPHONICACIDDIETHYLESTER Use and Manufacturing

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

Computed Properties

Molecular Weight:188.11
XLogP3:1.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:188.04138753
Monoisotopic Mass:188.04138753
Topological Polar Surface Area:35.5
Heavy Atom Count:11
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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