Diethyl 4-nitrobenzylphosphonate - CAS 2609-49-6
Catalog: |
BB043635 |
Product Name: |
Diethyl 4-nitrobenzylphosphonate |
CAS: |
2609-49-6 |
Synonyms: |
DIETHYL(4-NITROBENZYL)PHOSPHONATE; DIETHYL (P-NITROBENZYL)PHOSPHONATE; Diethyl(4-nitrobenzyl)phosphonate, 98 %; 4-Nitrobenzylphosphonic acid diethyl ester |
IUPAC Name: | 1-(diethoxyphosphorylmethyl)-4-nitrobenzene |
Description: | Diethyl 4-nitrobenzylphosphonate (CAS# 2609-49-6 ) is a useful research chemical. |
Molecular Weight: | 273.22 |
Molecular Formula: | C11H16NO5P |
Canonical SMILES: | CCOP(=O)(CC1=CC=C(C=C1)[N+](=O)[O-])OCC |
InChI: | InChI=1S/C11H16NO5P/c1-3-16-18(15,17-4-2)9-10-5-7-11(8-6-10)12(13)14/h5-8H,3-4,9H2,1-2H3 |
InChI Key: | FORMFFDDQMCTCT-UHFFFAOYSA-N |
Density: | 1.239 g/cm3 |
Appearance: | Clear slightly viscous yellow-orange to dark red |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P316, P321, P330, P405, and P501 |
Signal Word: | Danger |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.07660961 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.07660961 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 81.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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