1,3-Bis(di-t-butylphosphinomethyl)benzene

Catalog Number	ACM149968365-2
CAS	149968-36-5
Structure
Synonyms	PCP pincer; 1,3-Bis((di-tert-butylphosphino)methyl)benzene
IUPAC Name	ditert-butyl-[[3-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane
Molecular Weight	394.55
Molecular Formula	C24H44P2
InChI	VNLHPVUKSKTUPA-UHFFFAOYSA-N
InChI Key	InChI=1S/C24H44P2/c1-21(2,3)25(22(4,5)6)17-19-14-13-15-20(16-19)18-26(23(7,8)9)24(10,11)12/h13-16H,17-18H2,1-12H3
Boiling Point	459.3±38.0 °C(Predicted)
Melting Point	68-75 °C
Purity	98%
Appearance	Solid
Isomeric SMILES	CC(C)(C)P(CC1=CC(=CC=C1)CP(C(C)(C)C)C(C)(C)C)C(C)(C)C

Q&A

What is the molecular formula of 1,3-Bis((di-tert-butylphosphino)methyl)benzene?

The molecular formula is C24H44P2.

What is the exact mass of 1,3-Bis((di-tert-butylphosphino)methyl)benzene?

The exact mass is 394.29182540.

How many heavy atoms are present in the chemical structure of 1,3-Bis((di-tert-butylphosphino)methyl)benzene?

There are 26 heavy atoms present.

What is the Canonical SMILES representation of 1,3-Bis((di-tert-butylphosphino)methyl)benzene?

CC(C)(C)P(CC1=CC(=CC=C1)CP(C(C)(C)C)C(C)(C)C)C(C)(C)C

What is the CAS number of 1,3-Bis((di-tert-butylphosphino)methyl)benzene?

The CAS number is 149968-36-5.

How many rotatable bonds are present in the chemical structure of 1,3-Bis((di-tert-butylphosphino)methyl)benzene?

There are 8 rotatable bonds present.

What is the IUPAC name of 1,3-Bis((di-tert-butylphosphino)methyl)benzene?

The IUPAC name is ditert-butyl-[[3-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane.

What is the InChIKey for 1,3-Bis((di-tert-butylphosphino)methyl)benzene?

The InChIKey is VNLHPVUKSKTUPA-UHFFFAOYSA-N.

How many atom stereocenters are defined in the chemical structure of 1,3-Bis((di-tert-butylphosphino)methyl)benzene?

There are no defined atom stereocenters.

What is the European Community (EC) Number for 1,3-Bis((di-tert-butylphosphino)methyl)benzene?

The European Community (EC) Number is 813-340-7.