1,2-Bis(diphenylphosphino)ethyne

Catalog Number	ACM5112958-1
CAS	5112-95-8
Structure
Synonyms	Bis(diphenylphosphino)acetylene
IUPAC Name	2-diphenylphosphanylethynyl(diphenyl)phosphane
Molecular Weight	394.38
Molecular Formula	C26H20P2
InChI	FOWZHJNBFVLJGP-UHFFFAOYSA-N
InChI Key	InChI=1S/C26H20P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H
Boiling Point	529.6±33.0 °C(Predicted)
Melting Point	86-88 °C(lit.)
Purity	98%
Appearance	Solid
Isomeric SMILES	C1=CC=C(C=C1)P(C#CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Q&A

What is the CAS number for 1,2-Bis(diphenylphosphino)ethyne?

The CAS number for 1,2-Bis(diphenylphosphino)ethyne is 5112-95-8.

What is the molecular weight of 1,2-Bis(diphenylphosphino)ethyne?

The molecular weight of 1,2-Bis(diphenylphosphino)ethyne is 394.4 g/mol.

How many heavy atoms are present in the molecule?

There are 28 heavy atoms present in the molecule.

What is the Canonical SMILES representation of 1,2-Bis(diphenylphosphino)ethyne?

The Canonical SMILES representation is C1=CC=C(C=C1)P(C#CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.

What is the InChIKey for 1,2-Bis(diphenylphosphino)ethyne?

The InChIKey for 1,2-Bis(diphenylphosphino)ethyne is FOWZHJNBFVLJGP-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does the molecule have?

The molecule has 0 hydrogen bond acceptor count.

What is the formal charge of 1,2-Bis(diphenylphosphino)ethyne?

The formal charge of 1,2-Bis(diphenylphosphino)ethyne is 0.

Are there any defined atom stereocenters in the molecule?

No, there are no defined atom stereocenters in the molecule.

What is the common name or synonym for 1,2-Bis(diphenylphosphino)ethyne?

A common synonym for 1,2-Bis(diphenylphosphino)ethyne is Bis(diphenylphosphino)acetylene.