n-Octyl triphenylphosphonium bromide

• CAS: 42036-78-2
• Catalog Number: ACM42036782-3
• Category: Other Organic Phosphine Compounds
• Molecular Weight: 455.41
• Molecular Formula: C26H32BrP
• Synonyms: Octyl(Triphenyl)Phosphanium Bromide
• IUPAC Name: octyl(triphenyl)phosphanium;bromide
• SMILES: CCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• InChI: InChI=1S/C26H32P.BrH/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26;/h7-15,17-22H,2-6,16,23H2,1H3;1H/q+1;/p-1
• InChI Key: OBLXVLWZBMAMHE-UHFFFAOYSA-M
• Boiling Point: 61-63°C
• Melting Point: 61-63 °C
• Appearance: Solid
• Complexity: 326
• Covalently-Bonded Unit Count: 2
• EC Number: 255-635-8
• Exact Mass: 454.143g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 28
• Isomeric SMILES: CCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• Monoisotopic Mass: 454.143g/mol
• Physical State: Solid
• Rotatable Bond Count: 10
• Topological Polar Surface Area: 0A^2

Custom Q&A

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

The CAS number of n-Octyl triphenylphosphonium bromide is 42036-78-2.

What is the Canonical SMILES of n-Octyl triphenylphosphonium bromide?

The Canonical SMILES of n-Octyl triphenylphosphonium bromide is CCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

How many defined atom stereocenters are present in n-Octyl triphenylphosphonium bromide?

There are 0 defined atom stereocenters in n-Octyl triphenylphosphonium bromide.

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

The molecular weight of n-Octyl triphenylphosphonium bromide is 455.4g/mol.

What is the InChIKey of n-Octyl triphenylphosphonium bromide?

The InChIKey of n-Octyl triphenylphosphonium bromide is OBLXVLWZBMAMHE-UHFFFAOYSA-M

What are some of the synonyms of n-Octyl triphenylphosphonium bromide listed by the depositor?

Some of the synonyms of n-Octyl triphenylphosphonium bromide listed by the depositor include Octyltriphenylphosphonium bromide, (1-OCTYL)TRIPHENYLPHOSPHONIUM BROMIDE, n-octyltriphenylphosphonium bromide, and more.

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

The IUPAC name of n-Octyl triphenylphosphonium bromide is octyl(triphenyl)phosphanium bromide.