n-Hexyl-triphenylphosphonium bromide

• CAS: 4762-26-9
• Catalog Number: ACM4762269-1
• Category: Organic Phosphine Compounds
• Molecular Weight: 427.37
• Molecular Formula: C24H28BrP
• Synonyms: (1-Hexyl)triphenylphosphonium bromide
• IUPAC Name: hexyl(triphenyl)phosphanium;bromide
• Canonical SMILES: CCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• InChI: PWDFZWZPWFYFTC-UHFFFAOYSA-M
• InChI Key: InChI=1S/C24H28P.BrH/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24;/h5-13,15-20H,2-4,14,21H2,1H3;1H/q+1;/p-1
• Melting Point: 201-204 °C(lit.)
• Appearance: Solid
• Storage: Store below +30°C.
• Complexity: 300
• Covalently-Bonded Unit Count: 2
• EC Number: 225-301-6
• Exact Mass: 426.111g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 26
• Isomeric SMILES: CCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• Monoisotopic Mass: 426.111g/mol
• NSC Number: 151420
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the Monoisotopic Mass of n-Hexyl-triphenylphosphonium bromide?

The Monoisotopic Mass of n-Hexyl-triphenylphosphonium bromide is 426.11120.

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

The CAS number of n-Hexyl-triphenylphosphonium bromide is 4762-26-9.

What is the Canonical SMILES representation of n-Hexyl-triphenylphosphonium bromide?

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

How many Covalently-Bonded Units are present in n-Hexyl-triphenylphosphonium bromide?

There are 2 Covalently-Bonded Units present in n-Hexyl-triphenylphosphonium bromide.

What is the Heavy Atom Count of n-Hexyl-triphenylphosphonium bromide?

The Heavy Atom Count of n-Hexyl-triphenylphosphonium bromide is 26.

How many Rotatable Bonds are there in the molecular structure of n-Hexyl-triphenylphosphonium bromide?

There are 8 Rotatable Bonds in the molecular structure of n-Hexyl-triphenylphosphonium bromide.

What is the Molecular Formula of n-Hexyl-triphenylphosphonium bromide?

The Molecular Formula of n-Hexyl-triphenylphosphonium bromide is C24H28BrP.

What is the IUPAC Name of n-Hexyl-triphenylphosphonium bromide?

The IUPAC Name of n-Hexyl-triphenylphosphonium bromide is hexyl(triphenyl)phosphanium;bromide.

What is the InChIKey of n-Hexyl-triphenylphosphonium bromide?

The InChIKey of n-Hexyl-triphenylphosphonium bromide is PWDFZWZPWFYFTC-UHFFFAOYSA-M.