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:
Molecular Weight:
267.01
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352108
MDL number:
Product Name
Diethyl (bromodifluoromethyl)phosphonate, 96%
assay
96%
form
liquid
InChI
1S/C5H10BrF2O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3
SMILES string
CCOP(=O)(OCC)C(F)(F)Br
InChI key
QRADKVYIJIAENZ-UHFFFAOYSA-N
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
Quality Level
Related Categories
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
Eyeshields, Gloves
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