CAS 14937-45-2|Tributylhexadecylphosphonium bromide 98%|tributyl(hexadecyl)phosphanium bromide|TBHDPB|tributyl(hexadecyl)phosphanium bromide|Tributylhexadecylphosphonium bromide|Hexadecyltributylpho...

General Information

Structure

Molecular Formula

C₂₈H₆₀BrP

Molecular Mass

507.653761

Exact Mass

506.36160055

Charge

InChI

InChI=1S/C28H60P.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1

InChIKey

RYVBINGWVJJDPU-UHFFFAOYSA-M

Canonic Smiles

CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]

Isomeric Smiles

[P+](CCCC)(CCCC)(CCCCCCCCCCCCCCCC)CCCC.[Br-]

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

10.907003

LogD (pH = 7.4)

10.907003

Log P

10.907003

Molar Refractivity

138.2996

Polarizability

55.51205

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Synonyms

Tributylhexadecylphosphonium bromide 98%TBHDPBTributylhexadecylphosphonium bromideHexadecyltributylphosphonium bromideCETYLTRIBUTYLPHOSPHONIUM BROMIDETributylhexadecylphosphonium bromide三丁基十六烷基溴化膦Tributyl(hexadecyl)phosphonium bromide十六烷基三丁基溴化膦(正十六烷基)三正丁溴化基膦Tri-n-butylhexadecylphosphonium bromide(n-Hexadecyl)tri-n-butylphosphonium bromideCetyltri-n-butyl phosphonium bromide

IUPAC name

tributyl(hexadecyl)phosphanium bromide

IUPAC Traditional name

tributyl(hexadecyl)phosphanium bromide

Names and Identifiers

Registration numbers

MDL Number

MFCD00011775

CAS Number

14937-45-2

EC Number

239-014-9