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411361

Diethyl (bromodifluoromethyl)phosphonate

96%

Synonym(s):

(Bromodifluoromethyl)phosphonic acid diethyl ester

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About This Item

Linear Formula:
BrCF2P(O)(OC2H5)2
CAS Number:
65094-22-6
Molecular Weight:
267.01
NACRES:
NA.22
PubChem Substance ID:
24865745
UNSPSC Code:
12352108
MDL number:
MFCD00069118
Assay:
96%
Form:
liquid
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Quality Segment

100

assay

96%

form

liquid

reaction suitability

reaction type: C-C Bond Formation

refractive index

n20/D 1.417 (lit.)

bp

40-41 °C/0.05 mmHg (lit.)

density

1.503 g/mL at 25 °C (lit.)

functional group

bromo, fluoro, phosphonate

SMILES string

CCOP(=O)(OCC)C(F)(F)Br

InChI

1S/C5H10BrF2O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3

InChI key

QRADKVYIJIAENZ-UHFFFAOYSA-N

Application

Reactant for:
  • Preparation of phosphopeptide mimetic prodrugs targeted to Src homology 2 (SH2) domain of signal transducer and activator of transcription 3 (Stat3)
  • Synthesis of Mycobacterium tuberculosis protein tyrosine phosphatase inhibitory difluoromethylphosphonic acid derivatives via multi step synthesis with Suzuki coupling and resolution as key steps
  • P-C bond cleavage on basic hydrolysis
  • Preparation of a prodrug for intracellular delivery of protein tyrosine phosphatase 1B (PTP1B) inhibitor (nonhydrolyzable difluoromethylphosphonate moiety)

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

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