3-Phenylpropyl triphenylphosphonium bromide

Catalog Number	ACM7484379-1
CAS	7484-37-9
Structure
Synonyms	Triphenyl(3-phenylpropyl)phosphanium
IUPAC Name	Triphenyl(3-phenylpropyl)phosphanium;bromide
Molecular Weight	461.37
Molecular Formula	C27H26BrP
Canonical SMILES	C1=CC=C(C=C1)CCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
InChI	InChI=1S/C27H26P.BrH/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27;/h1-12,14-15,17-22H,13,16,23H2;1H/q+1;/p-1
InChI Key	RPUZOJFXAPSSJD-UHFFFAOYSA-M
Melting Point	209 °C
Purity	95%
Appearance	Solid
Complexity	374
Covalently-Bonded Unit Count	2
Exact Mass	460.09555
Heavy Atom Count	29
Isomeric SMILES	C1=CC=C(C=C1)CCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
Monoisotopic Mass	460.09555
Topological Polar Surface Area	0 Ų

Q&A

What is the CAS number for 3-Phenylpropyl triphenylphosphonium bromide?

The CAS number is 7484-37-9.

How many covalently-bonded units are in the structure of 3-Phenylpropyl triphenylphosphonium bromide?

There are two covalently-bonded units.

What is the molecular weight of 3-Phenylpropyl triphenylphosphonium bromide?

The molecular weight is 461.4g/mol.

What is the IUPAC name of 3-Phenylpropyl triphenylphosphonium bromide?

The IUPAC name is triphenyl(3-phenylpropyl)phosphanium;bromide.

How many heavy atoms are in the structure of 3-Phenylpropyl triphenylphosphonium bromide?

There are 29 heavy atoms.

What is the exact mass of 3-Phenylpropyl triphenylphosphonium bromide?

The exact mass is 460.09555.

How many rotatable bond counts are there in 3-Phenylpropyl triphenylphosphonium bromide?

There are 7 rotatable bond counts.

What are some of the synonyms for 3-Phenylpropyl triphenylphosphonium bromide provided by the depositor?

Some synonyms include Triphenyl(3-phenylpropyl)phosphonium bromide, NSC-110598, and MFCD00051886.

What is the InChIKey for 3-Phenylpropyl triphenylphosphonium bromide?

The InChIKey is RPUZOJFXAPSSJD-UHFFFAOYSA-M.

What is the molecular formula of 3-Phenylpropyl triphenylphosphonium bromide?

The molecular formula is C27H26BrP.