Diphenyl(o-tolyl)phosphine

• CAS: 5931-53-3
• Catalog Number: ACM5931533-1
• Category: Other Products
• Molecular Weight: 276.31
• Molecular Formula: C19H17P
• Synonyms: O-Tolyldiphenylphosphine
• IUPAC Name: (2-methylphenyl)-diphenylphosphane
• Canonical SMILES: CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3
• InChI: MLBZLJCMHFCTQM-UHFFFAOYSA-N
• InChI Key: InChI=1S/C19H17P/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15H,1H3
• Melting Point: 70-73 °C(lit.)
• Appearance: Solid
• Complexity: 258
• Covalently-Bonded Unit Count: 1
• EC Number: 227-675-6
• Exact Mass: 276.107g/mol
• Heavy Atom Count: 20
• Isomeric SMILES: CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3
• Monoisotopic Mass: 276.107g/mol
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the IUPAC name of the compound with the CAS number 5931-53-3?

(2-methylphenyl)-diphenylphosphane

What is the molecular formula of the compound with the name Diphenyl(o-tolyl)phosphine?

C19H17P

What is the exact mass of Diphenyl(o-tolyl)phosphine?

276.106787540

How many heavy atoms are present in the molecule of Diphenyl(o-tolyl)phosphine?

20

What is the Canonical SMILES representation of Diphenyl(o-tolyl)phosphine?

CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3

Is there any hydrogen bond acceptor count in Diphenyl(o-tolyl)phosphine?

No

How many rotatable bonds are present in the structure of Diphenyl(o-tolyl)phosphine?

3

What is the XLogP3 value of Diphenyl(o-tolyl)phosphine?

5

What is the InChIKey of the compound Diphenyl(o-tolyl)phosphine?

MLBZLJCMHFCTQM-UHFFFAOYSA-N

What is another name for Diphenyl(o-tolyl)phosphine other than the IUPAC name?

O-TOLYLDIPHENYLPHOSPHINE

Synthetic Use

Upstream Synthesis Route 1

• 932-31-0
• 1079-66-9

• 5931-53-3

Reference: [1]Bulletin of the Academy of Sciences of the USSR Division of Chemical Science,1981,vol. 30,p. 1289 - 1293
Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1981,p. 1596 - 1600

Upstream Synthesis Route 2

• 95-46-5
• 1079-66-9

• 5931-53-3

Reference: [1]Patent: CN105859774,2016,A .Location in patent: Paragraph 0082; 0083; 0084; 0085