Tris[3,5-bis(trifluoromethyl)phenyl]phosphine

• CAS: 175136-62-6
• Catalog Number: ACM175136626-1
• Category: Other Products
• Molecular Weight: 670.37
• Molecular Formula: C24H9F18P
• Synonyms: Tris[3,5-bis(trifluoromethyl)phenyl]phosphane
• IUPAC Name: tris[3,5-bis(trifluoromethyl)phenyl]phosphane
• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)P(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(F)(F)F
• InChI: ITJHLZVYLDBFOJ-UHFFFAOYSA-N
• InChI Key: InChI=1S/C24H9F18P/c25-19(26,27)10-1-11(20(28,29)30)5-16(4-10)43(17-6-12(21(31,32)33)2-13(7-17)22(34,35)36)18-8-14(23(37,38)39)3-15(9-18)24(40,41)42/h1-9H
• Boiling Point: 128-130 °C at 0.5mmHg
• Melting Point: 95 °C
• Appearance: Solid
• Storage: Keep under Nitrogen
• Complexity: 741
• Covalently-Bonded Unit Count: 1
• Exact Mass: 670.015g/mol
• H-Bond Acceptor: 18
• Heavy Atom Count: 43
• Isomeric SMILES: C1=C(C=C(C=C1C(F)(F)F)P(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(F)(F)F
• Monoisotopic Mass: 670.015g/mol
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of Tris[3,5-bis(trifluoromethyl)phenyl]phosphine?

The molecular formula is C24H9F18P.

When was Tris[3,5-bis(trifluoromethyl)phenyl]phosphine first created and last modified?

It was first created on July 19, 2005, and last modified on December 30, 2023.

What is the IUPAC name of Tris[3,5-bis(trifluoromethyl)phenyl]phosphine?

The IUPAC name is tris[3,5-bis(trifluoromethyl)phenyl]phosphane.

What is the InChI of Tris[3,5-bis(trifluoromethyl)phenyl]phosphine?

The InChI is InChI=1S/C24H9F18P/c25-19(26,27)10-1-11(20(28,29)30)5-16(4-10)43(17-6-12(21(31,32)33)2-13(7-17)22(34,35)36)18-8-14(23(37,38)39)3-15(9-18)24(40,41)42/h1-9H.

What is the Canonical SMILES of Tris[3,5-bis(trifluoromethyl)phenyl]phosphine?

The Canonical SMILES is C1=C(C=C(C=C1C(F)(F)F)P(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(F)(F)F.

What is the CAS number of Tris[3,5-bis(trifluoromethyl)phenyl]phosphine?

The CAS number is 175136-62-6.

What is the molecular weight of Tris[3,5-bis(trifluoromethyl)phenyl]phosphine?

The molecular weight is 670.3 g/mol.

How many hydrogen bond acceptors does Tris[3,5-bis(trifluoromethyl)phenyl]phosphine have?

It has 18 hydrogen bond acceptors.

What is the topological polar surface area of Tris[3,5-bis(trifluoromethyl)phenyl]phosphine?

The topological polar surface area is 0^2.

Does Tris[3,5-bis(trifluoromethyl)phenyl]phosphine have any defined or undefined atom or bond stereocenters?

No, it does not have any defined or undefined atom or bond stereocenters.

Synthetic Use

Upstream Synthesis Route 1

• 328-70-1

• 175136-62-6

Reference: [1]Tetrahedron,2002,vol. 58,p. 3929 - 3941
[2]European Journal of Organic Chemistry,2015,vol. 2015,p. 60 - 66
[3]Chemische Berichte,1996,vol. 129,p. 233 - 235
[4]Chemische Berichte,1986,vol. 119,p. 1694 - 1703