9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene

Catalog Number	ACM856405771-1
CAS	856405-77-1
Structure
Synonyms	4,5-Bis(di-tert-butylphosphino)-9,9-dimethylxanthene; t-Bu-Xantphos
IUPAC Name	ditert-butyl-(5-ditert-butylphosphanyl-9,9-dimethylxanthen-4-yl)phosphane
Molecular Weight	498.68
Molecular Formula	C31H48OP2
InChI	ZEIZANJFJXHMNS-UHFFFAOYSA-N
InChI Key	InChI=1S/C31H48OP2/c1-27(2,3)33(28(4,5)6)23-19-15-17-21-25(23)32-26-22(31(21,13)14)18-16-20-24(26)34(29(7,8)9)30(10,11)12/h15-20H,1-14H3
Boiling Point	563.1±50.0 °C(Predicted)
Melting Point	153-157 °C
Purity	98%
Appearance	Solid
Isomeric SMILES	CC1(C2=C(C(=CC=C2)P(C(C)(C)C)C(C)(C)C)OC3=C1C=CC=C3P(C(C)(C)C)C(C)(C)C)C

Q&A

What is the IUPAC name of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene?

The IUPAC name is ditert-butyl-(5-ditert-butylphosphanyl-9,9-dimethylxanthen-4-yl)phosphane.

How many Heavy Atoms are present in 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene?

There are 34 Heavy Atoms.

What is the Exact Mass of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene?

The Exact Mass is 498.31804015.

What is the Monoisotopic Mass of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene?

The Monoisotopic Mass is 498.31804015.

How many Rotatable Bond Count are present in 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene?

There are 6 Rotatable Bond Count.

What is the Canonical SMILES of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene?

CC1(C2=C(C(=CC=C2)P(C(C)(C)C)C(C)(C)C)OC3=C1C=CC=C3P(C(C)(C)C)C(C)(C)C)C

What is the Computed Properties Topological Polar Surface Area of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene?

The Computed Properties Topological Polar Surface Area is 9.2.

What is the European Community (EC) Number of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene?

The European Community (EC) Number is 894-633-7.

What is the CAS number of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene?

The CAS number is 856405-77-1.

What are some of the Depositor-Supplied Synonyms for 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene?

Some of the Depositor-Supplied Synonyms are t-Bu-Xantphos, 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene, and F10225.