4-Nitrophenyl phosphorodichloridate - CAS 777-52-6
Catalog: |
BB036024 |
Product Name: |
4-Nitrophenyl phosphorodichloridate |
CAS: |
777-52-6 |
Synonyms: |
1-dichlorophosphoryloxy-4-nitrobenzene |
IUPAC Name: | 1-dichlorophosphoryloxy-4-nitrobenzene |
Description: | 4-Nitrophenyl phosphorodichloridate (CAS# 777-52-6) is used as a reagent in the synthesis of dihydrobenzodioxaphosphocine oxide derivatives which have antioxidant activity. |
Molecular Weight: | 255.98 |
Molecular Formula: | C6H4Cl2NO4P |
Canonical SMILES: | C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(Cl)Cl |
InChI: | InChI=1S/C6H4Cl2NO4P/c7-14(8,12)13-6-3-1-5(2-4-6)9(10)11/h1-4H |
InChI Key: | NCPBESHYZRJICR-UHFFFAOYSA-N |
Boiling Point: | 182-183 ℃ / 13 mmHg (lit.) |
Purity: | 98 % |
Density: | 1.644 g/cm3 |
Appearance: | Off-white to yellow crystals |
LogP: | 4.08250 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021194828-A1 | Compounds useful in hiv therapy | 20200323 |
US-2021284670-A1 | Antiviral compounds | 20200218 |
WO-2021167882-A1 | Antiviral compounds | 20200218 |
WO-2021168038-A1 | Antiviral compounds | 20200218 |
CN-112654660-A | Method for separating out gas components | 20180830 |
PMID | Publication Date | Title | Journal |
19853328 | 20100101 | Synthesis, spectral characterization and biological evaluation of phosphorylated derivatives of galanthamine | European journal of medicinal chemistry |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.9255000 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.9255000 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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