1,4-Bis(diphenylphosphino)butane

• CAS: 7688-25-7
• Catalog Number: ACM7688257-1
• Category: Organic Phosphine Compounds
• Molecular Weight: 426.48
• Molecular Formula: C28H28P2
• Synonyms: 1,4-Butanediylbis[Diphenylphosphine]
• IUPAC Name: 4-diphenylphosphanylbutyl(diphenyl)phosphane
• Canonical SMILES: C1=CC=C(C=C1)P(CCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
• InChI: BCJVBDBJSMFBRW-UHFFFAOYSA-N
• InChI Key: InChI=1S/C28H28P2/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2
• Boiling Point: 542.0±33.0 °C(Predicted)
• Melting Point: 132-136 °C(lit.)
• Appearance: Solid
• Application: suzuki reaction
• Complexity: 362
• Covalently-Bonded Unit Count: 1
• EC Number: 231-698-7
• Exact Mass: 426.167g/mol
• Heavy Atom Count: 30
• Isomeric SMILES: C1=CC=C(C=C1)P(CCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
• Monoisotopic Mass: 426.167g/mol
• Rotatable Bond Count: 9
• Topological Polar Surface Area: 0A^2
• UNII: 35HP6LTD2D

Custom Q&A

What is the molecular formula of 1,4-Bis(diphenylphosphino)butane?

The molecular formula is C28H28P2.

What is the molecular weight of 1,4-Bis(diphenylphosphino)butane?

The molecular weight is 426.5 g/mol.

What is the IUPAC name of 1,4-Bis(diphenylphosphino)butane?

The IUPAC name is 4-diphenylphosphanylbutyl(diphenyl)phosphane.

How is the InChI of 1,4-Bis(diphenylphosphino)butane computed?

The InChI is computed as InChI=1S/C28H28P2/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2.

What is the InChIKey of 1,4-Bis(diphenylphosphino)butane?

The InChIKey is BCJVBDBJSMFBRW-UHFFFAOYSA-N.

What is the Canonical SMILES of 1,4-Bis(diphenylphosphino)butane?

The Canonical SMILES is C1=CC=C(C=C1)P(CCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.

What are some synonyms of 1,4-Bis(diphenylphosphino)butane?

Some synonyms include dppb, Phosphine, 1,4-butanediylbis[diphenyl- and 4-diphenylphosphanylbutyl(diphenyl)phosphane.

What is the CAS number of 1,4-Bis(diphenylphosphino)butane?

The CAS number is 7688-25-7.

How many rotatable bond counts are there in 1,4-Bis(diphenylphosphino)butane?

There are 9 rotatable bond counts.

What is the exact mass of 1,4-Bis(diphenylphosphino)butane?

The exact mass is 426.16662489 g/mol.