Acetonitrile, 2-(triphenylphosphoranylidene)-

Catalog Number	ACM16640689-1
CAS	16640-68-9
Structure
Synonyms	(Triphenylphosphoranylidene)acetonitrile; 2-(Triphenylphosphoranylidene)acetonitrile
IUPAC Name	2-(triphenyl-lambda5-phosphanylidene)acetonitrile
Molecular Weight	301.32
Molecular Formula	C20H16NP
InChI	APISVOVOJVZIBA-UHFFFAOYSA-N
InChI Key	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
Boiling Point	465.3±28.0 °C(Predicted)
Melting Point	189-195 °C(lit.)
Flash Point	>110 °C
Purity	97%
Density	1.16±0.1 g/cm3(Predicted)
Appearance	Solid
Isomeric SMILES	C1=CC=C(C=C1)P(=CC#N)(C2=CC=CC=C2)C3=CC=CC=C3

Q&A

What are some of the depositor-supplied synonyms for Acetonitrile, 2-(triphenylphosphoranylidene)-?

Some synonyms include (Triphenylphosphoranylidene)acetonitrile, (Cyanomethylene)triphenylphosphorane, and NSC-135204.

What is the CAS number of Acetonitrile, 2-(triphenylphosphoranylidene)-?

The CAS number is 16640-68-9.

What is the molecular formula of Acetonitrile, 2-(triphenylphosphoranylidene)-?

The molecular formula is C20H16NP.

What is the IUPAC name of Acetonitrile, 2-(triphenylphosphoranylidene)-?

The IUPAC name is 2-(triphenyl-λ5-phosphanylidene)acetonitrile.

What is the molecular weight of Acetonitrile, 2-(triphenylphosphoranylidene)-?

The molecular weight is 301.3g/mol.

How many heavy atoms are present in the molecule of Acetonitrile, 2-(triphenylphosphoranylidene)-?

There are 22 heavy atoms in the molecule.

How many rotatable bonds are there in the molecule of Acetonitrile, 2-(triphenylphosphoranylidene)-?

There are 3 rotatable bonds in the molecule.

What is the XLogP3 value of Acetonitrile, 2-(triphenylphosphoranylidene)-?

The XLogP3 value is 3.8.

What is the InChIKey of Acetonitrile, 2-(triphenylphosphoranylidene)-?

The InChIKey is APISVOVOJVZIBA-UHFFFAOYSA-N.