(Cyanomethylene)triphenylphosphorane - CAS 16640-68-9
Catalog: |
BB043433 |
Product Name: |
(Cyanomethylene)triphenylphosphorane |
CAS: |
16640-68-9 |
Synonyms: |
(Triphenylphosphoranylidene)acetonitrile;16640-68-9;(Cyanomethylene)triphenylphosphorane;2-(Triphenylphosphoranylidene)acetonitrile;Cyanomethylenetriphenylphosphorane;2-(triphenyl-$l^{5}-phosphanylidene)acetonitrile |
IUPAC Name: | 2-(triphenyl-λ5-phosphanylidene)acetonitrile |
Description: | (Cyanomethylene)triphenylphosphorane (CAS# 16640-68-9 ) is a useful research chemical. |
Molecular Weight: | 301.32 |
Molecular Formula: | C20H16NP |
Canonical SMILES: | C1=CC=C(C=C1)P(=CC#N)(C2=CC=CC=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C20H16NP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17H |
InChI Key: | APISVOVOJVZIBA-UHFFFAOYSA-N |
Boiling Point: | 465.3 °C at 760 mmHg |
Melting Point: | 189-195 °C(lit.) |
Purity: | 95 % |
Density: | 1.16 g/cm3 |
Appearance: | Off-white to light yellow crystalline powder |
Storage: | Refrigerator |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 387 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.102036512 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.102036512 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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