Diethyl (Bromodifluoromethyl)phosphonate - CAS 65094-22-6
Catalog: |
BB032626 |
Product Name: |
Diethyl (Bromodifluoromethyl)phosphonate |
CAS: |
65094-22-6 |
Synonyms: |
1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane; 1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane |
IUPAC Name: | 1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane |
Description: | Diethyl (Bromodifluoromethyl)phosphonate (CAS# 65094-22-6) is a highly efficient and environmentally benign difluorocarbene precursor. It can be used as a reagent in the synthesis of benzindolone structural scaffolds for inhibition of lumazine synthase. |
Molecular Weight: | 267.01 |
Molecular Formula: | C5H10BrF2O3P |
Canonical SMILES: | CCOP(=O)(C(F)(F)Br)OCC |
InChI: | InChI=1S/C5H10BrF2O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3 |
InChI Key: | QRADKVYIJIAENZ-UHFFFAOYSA-N |
Boiling Point: | 99 °C (16 torr) |
Density: | 1.503 g/cm3 |
MDL: | MFCD00069118 |
LogP: | 3.19770 |
GHS Hazard Statement: | H302 (11.11%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113501766-A | Asymmetric synthesis method of multifunctional cyclopentenone derivative containing difluoroalkyl | 20210707 |
WO-2021202796-A1 | Pyrrolidine-pyrazoles as pyruvate kinase activators | 20200401 |
WO-2021188696-A1 | Stat degraders and uses thereof | 20200317 |
US-2021299100-A1 | Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors | 20200316 |
WO-2021186324-A1 | Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors | 20200316 |
PMID | Publication Date | Title | Journal |
22432425 | 20120406 | Copper catalyzed cross-coupling of iodobenzoates with bromozinc-difluorophosphonate | Organic letters |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.95190 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.95190 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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