2-(Triphenylphosphoranylidene)acetophenone - CAS 859-65-4
Catalog: |
BB037787 |
Product Name: |
2-(Triphenylphosphoranylidene)acetophenone |
CAS: |
859-65-4 |
Synonyms: |
1-phenyl-2-triphenylphosphoranylideneethanone; 1-phenyl-2-(triphenyl-$l^{5}-phosphanylidene)ethanone |
IUPAC Name: | 1-phenyl-2-(triphenyl-λ5-phosphanylidene)ethanone |
Description: | 2-(Triphenylphosphoranylidene)acetophenone (CAS# 859-65-4) is a useful research chemical. |
Molecular Weight: | 380.42 |
Molecular Formula: | C26H21OP |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 |
InChI: | InChI=1S/C26H21OP/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H |
InChI Key: | MZRSAJZDYIISJW-UHFFFAOYSA-N |
Boiling Point: | 550.9 °C at 760 mmHg |
Density: | 1.18 g/cm3 |
Appearance: | White to slightly pale yellow |
LogP: | 4.66560 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
15528837 | 20041101 | The 2:1 adducts of (benzoylmethylene)triphenylphosphorane with fumaric and terephthalic acids | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 489 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 380.133002287 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 380.133002287 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.2 |
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