CAS 47562-49-2 Triphenyl(3-phenylpropyl)phosphonium bromide (HCID 500003)

Substructure search Find similar structures

Basic information

CAS: 47562-49-2
Standard SMILES: c1ccc(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey: YEWDWCMFWXAKLL-UHFFFAOYSA-N
Molecular formula: C27H26P+
Average molar mass: 381.5 g/mol

Names & identifiers

Preferred name: Triphenyl(3-phenylpropyl)phosphonium bromide
IUPAC: triphenyl(3-phenylpropyl)phosphanium

Names & synonyms

EINECS 231-289-3NSC 110598RefChem:899984231-289-3Triphenyl(3-phenylpropyl)phosphonium bromidetriphenyl 3-phenylpropylphosphoranetriphenyl(3-phenylpropyl)phosphoniumNSC110598triphenyl(3-phenylpropyl)phosphaniumK62MZ56NJUSCHEMBL4379654YCQLRIXXWUOUSS-UHFFFAOYSA-N

Show more names

triphenyl 3-phenyl-propylphosphoraneTriphenyl(3-phenylpropyl)phosphoranePhosphonium, triphenyl(3-phenylpropyl)-47562-49-2

Database identifiers

CAS: 47562-49-2、7484-37-9
PubChem CID: 500003
UNII: K62MZ56NJU
EC Number: 231-289-3
Nikkaji: J269.446H

Properties

Computed structural propertiesFilling in

XLogP: 6.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 7
Heavy atoms: 28
Formal charge: 1
Complexity: 374

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.