Phenyl dichlorophosphate - CAS 770-12-7
Catalog: |
BB035784 |
Product Name: |
Phenyl dichlorophosphate |
CAS: |
770-12-7 |
Synonyms: |
dichlorophosphoryloxybenzene |
IUPAC Name: | dichlorophosphoryloxybenzene |
Description: | Phenyl dichlorophosphate (CAS# 770-12-7) is used as a reagent in the synthesis of aspartic acid based nucleoside phosphoramidate prodrugs as potent inhibitors of hepatitis C virus replication. Also a reagent in the synthesis of nucleotide prodrugs of 2'-deoxy-2'-spirooxetane ribonucleosides as inhibitors of HCV NS5B polymerase. |
Molecular Weight: | 210.98 |
Molecular Formula: | C6H5Cl2O2P |
Canonical SMILES: | C1=CC=C(C=C1)OP(=O)(Cl)Cl |
InChI: | InChI=1S/C6H5Cl2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H |
InChI Key: | TXFOLHZMICYNRM-UHFFFAOYSA-N |
Boiling Point: | 241-243 °C |
Melting Point: | -1 °C |
Purity: | > 98.0 % (GC) (T) |
Density: | 1.412 g/cm3 |
Appearance: | A liquid. may severely irritate skin, eyes and mucous membranes. |
Storage: | 2-8 °C |
LogP: | 3.65110 |
GHS Hazard Statement: | H272 (14.04%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids] |
Precautionary Statement: | P210, P220, P221, P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P370+P378, P391, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22090923 | 20110801 | Phenyl bis-(m-tolyl-amido)-phosphinate | Acta crystallographica. Section E, Structure reports online |
22091209 | 20110801 | Phenyl bis-(morpholin-4-yl-amido)-phosphinate | Acta crystallographica. Section E, Structure reports online |
21583674 | 20090725 | 3-(6-Methyl-2-pyrid-yl)-2-phen-oxy-3,4-dihydro-1,3,2-benzoxaza-phosphirine 2-oxide | Acta crystallographica. Section E, Structure reports online |
17615587 | 20070801 | Synthesis and biological evaluation of phosphate prodrugs of 4-phospho-D-erythronohydroxamic acid, an inhibitor of 6-phosphogluconate dehydrogenase | ChemMedChem |
15026076 | 20040405 | Efficient and chemoselective N-acylation of 10-amino-7-ethyl camptothecin with poly(ethylene glycol) | Bioorganic & medicinal chemistry letters |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.9404218 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.9404218 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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