2-(Diphenylphosphino)benzonitrile

• CAS: 34825-99-5
• Catalog Number: ACM34825995-1
• Category: Other Products
• Molecular Weight: 287.30
• Molecular Formula: C19H14NP
• Synonyms: (2-Cyanophenyl)diphenylphosphine
• IUPAC Name: 2-diphenylphosphanylbenzonitrile
• SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C#N
• InChI: FEOUZPAYKDNQBW-UHFFFAOYSA-N
• InChI Key: InChI=1S/C19H14NP/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H
• Boiling Point: 427.7±28.0 °C(Predicted)
• Melting Point: 148-150 °C
• Appearance: Solid
• Complexity: 341
• Covalently-Bonded Unit Count: 1
• Exact Mass: 287.086g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 21
• Isomeric SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C#N
• Monoisotopic Mass: 287.086g/mol
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 23.8A^2

Custom Q&A

What is the CAS number of 2-(Diphenylphosphino)benzonitrile?

The CAS number is 34825-99-5.

What is the computed heavy atom count of 2-(Diphenylphosphino)benzonitrile?

The computed heavy atom count is 21.

What is the IUPAC name of 2-(Diphenylphosphino)benzonitrile?

The IUPAC name is 2-diphenylphosphanylbenzonitrile.

How many rotatable bonds are in the molecular structure of 2-(Diphenylphosphino)benzonitrile?

There are 3 rotatable bonds.

What is the molecular weight of 2-(Diphenylphosphino)benzonitrile?

The molecular weight is 287.3 g/mol.

What are some other names or synonyms for 2-(Diphenylphosphino)benzonitrile?

Some synonyms include (2-Cyanophenyl)diphenylphosphine, o-(Diphenylphosphino)benzonitrile, and (diphenylphosphino)benzonitrile.

What is the exact mass of 2-(Diphenylphosphino)benzonitrile?

The exact mass is 287.086386449.

How many hydrogen bond acceptors does 2-(Diphenylphosphino)benzonitrile have?

It has 1 hydrogen bond acceptor.

What is the molecular formula of 2-(Diphenylphosphino)benzonitrile?

The molecular formula is C19H14NP.

Can you provide the InChIKey for 2-(Diphenylphosphino)benzonitrile?

The InChIKey is FEOUZPAYKDNQBW-UHFFFAOYSA-N.

Synthetic Use

Upstream Synthesis Route 1

• 2042-37-7
• 1079-66-9

• 34825-99-5

Reference: [1]Ren, Wei; Yang, Shang-Dong; Zuo, Qian-Ming
[Synlett, 2019, vol. 30, # 14, p. 1719 - 1724]
[2]Guo, Xin-Wei; Quan, Li-Xia; Zhu, Xian-Hong; Chen, Fa-Yun; Zhou, An-Xi; Mao, Liu-Liang; Wan, Jie-Ping; Yang, Shang-Dong
[Organic and Biomolecular Chemistry, 2022, vol. 20, # 16, p. 3283 - 3286]
[3]Ravindar; Hemling; Schumann; Blum
[Synthetic Communications, 1992, vol. 22, # 10, p. 1453 - 1459]

Downstream Synthesis Route 1

• 34825-99-5

• 50777-76-9

Reference: [1] Synthetic Communications, 1992, vol. 22, # 10, p. 1453 - 1459

Downstream Synthesis Route 2

• 34825-99-5

• 50777-77-0

Reference: [1]Erbe, Juergen; Beck, Wolfgang
[Chemische Berichte, 1983, vol. 116, # 12, p. 3867 - 3876]

Downstream Synthesis Route 3

• 2026-48-4
• 34825-99-5

• 148461-14-7

Reference: [1]Zhang, Lujun; Yang, Feichao; Tao, Guanyu; Qiu, Liqi; Duan, Zheng; Mathey, François
[European Journal of Inorganic Chemistry, 2017, vol. 2017, # 17, p. 2355 - 2362]

* For details of the synthesis route, please refer to the original source to ensure accuracy.