n-Heptyl triphenylphosphonium bromide

• CAS: 13423-48-8
• Catalog Number: ACM13423488
• Category: Organic Phosphine Compounds
• Molecular Weight: 441.393g/mol
• Molecular Formula: C25H30BrP
• Synonyms: I14-45399; N-HEPTYL TRIPHENYL PHOSPHONIUMBROMIDE; MFCD00050249 (97%); DB-042221; KS-00000Z5V; heptyl(triphenyl)phosphanium bromide; AKOS015833040; C7H15PPh3Br; n-Heptyl triphenylphosphonium bromide; heptyltriphenylphosphanium bromide
• IUPAC Name: heptyl(triphenyl)phosphanium;bromide
• Canonical SMILES: CCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• InChI: InChI=1S/C25H30P.BrH/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h6-14,16-21H,2-5,15,22H2,1H3;1H/q+1;/p-1
• InChI Key: WCZSOHSGMBVYFW-UHFFFAOYSA-M
• Complexity: 313
• Covalently-Bonded Unit Count: 2
• EC Number: 236-539-5
• Exact Mass: 440.127g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 27
• Monoisotopic Mass: 440.127g/mol
• Rotatable Bond Count: 9
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the PubChem CID of n-Heptyl triphenylphosphonium bromide?

PubChem CID 2724567.

What is the molecular formula of n-Heptyl triphenylphosphonium bromide?

The molecular formula is C25H30BrP.

What are some synonyms of n-Heptyl triphenylphosphonium bromide?

Some synonyms include Heptyltriphenylphosphonium bromide, 13423-48-8, and (1-Heptyl)triphenylphosphonium bromide.

What is the molecular weight of n-Heptyl triphenylphosphonium bromide?

The molecular weight is 441.4 g/mol.

What is the parent compound of n-Heptyl triphenylphosphonium bromide?

The parent compound is CID 2724568 (Heptyl(triphenyl)phosphanium).

What are the component compounds of n-Heptyl triphenylphosphonium bromide?

The component compounds are Hydrobromic Acid (CID 260) and Heptyl(triphenyl)phosphanium (CID 2724568).

What is the IUPAC name of n-Heptyl triphenylphosphonium bromide?

The IUPAC name is heptyl(triphenyl)phosphanium;bromide.

What is the InChIKey of n-Heptyl triphenylphosphonium bromide?

The InChIKey is WCZSOHSGMBVYFW-UHFFFAOYSA-M.

What is the CAS number of n-Heptyl triphenylphosphonium bromide?

The CAS number is 13423-48-8.

Does n-Heptyl triphenylphosphonium bromide have any hydrogen bond donor count?

No, it does not have any hydrogen bond donor count.

Synthetic Use

Downstream Synthesis Route 1

• 694-54-2
• 13423-48-8

• 40642-38-4

Reference: [1]Location in patent: experimental part
Ragoussis, Valentine; Perdikaris, Stamatis; Karamolegkos, Antonis; Magkiosi, Konstantina
[Journal of Agricultural and Food Chemistry, 2008, vol. 56, # 24, p. 11929 - 11932]
[2]Ohloff,G. et al.
[Helvetica Chimica Acta, 1977, vol. 60, p. 1161 - 1174]

Downstream Synthesis Route 2

• 1931-63-1
• 13423-48-8

• 1120-25-8

Reference: [1]Sarkar; Prasad; Nandy, Sonia
[Journal of the Indian Chemical Society, 2005, vol. 82, # 5, p. 475 - 476]
[2]Bestmann; Stransky; Vostrowsky; Range
[Chemische Berichte, 1975, vol. 108, # 11, p. 3582 - 3595]
[3]Narasimhan, S.; Mohan, H.
[Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1995, vol. 34, # 11, p. 950 - 953]
[4]Majee
[Journal of the Indian Chemical Society, 2012, vol. 89, # 10, p. 1435 - 1438]

Downstream Synthesis Route 3

• 3433-16-7
• 13423-48-8

• 56219-10-4

Reference: [1]Bestmann; Stransky; Vostrowsky; Range
[Chemische Berichte, 1975, vol. 108, # 11, p. 3582 - 3595]
[2]Mostyn, Shannon N.; Carland, Jane E.; Shimmon, Susan; Ryan, Renae M.; Rawling, Tristan; Vandenberg, Robert J.
[ACS Chemical Neuroscience, 2017, vol. 8, # 9, p. 1949 - 1959]

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