[4-(Methoxycarbonyl)benzyl](triphenyl)phosphonium bromide

HCID 2764257CAS 1253-46-9

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-]
InChIKey: WUWDGVKUXDZLNU-UHFFFAOYSA-M
Molecular formula: C27H24BrO2P
Average molar mass: 491.4 g/mol
Monoisotopic mass: 490.06972874

Names & identifiers

Preferred name: [4-(Methoxycarbonyl)benzyl](triphenyl)phosphonium bromide
IUPAC: (4-methoxycarbonylphenyl)methyl-triphenylphosphanium bromide
English name: 4-CARBOMETHOXYBENZYL TRIPHENYLPHOSPHONIUM CHLORIDE
Molecular formula: C27H24O2P.Br
Molecular weight: 491.36

Names & synonyms

1253-46-9[4-(Methoxycarbonyl)benzyl](triphenyl)phosphonium bromide(4-Methoxycarbonylbenzyl)triphenylphosphonium bromide(4-methoxycarbonylphenyl)methyl-triphenylphosphanium;bromideMFCD00082765{[4-(methoxycarbonyl)phenyl]methyl}triphenylphosphanium bromide(4-Methoxycarbonylbenzyl)triphenylphosphoniumbromide(4-(methoxycarbonyl)benzyl)triphenylphosphonium bromide4-CARBOMETHOXYBENZYL TRIPHENYLPHOSPHONIUM CHLORIDE[4-(methoxycarbonyl)benzyl]triphenylphosphonium bromidePhosphonium, [[4-(methoxycarbonyl)phenyl]methyl]triphenyl-, bromide4-carbomethoxybenzyltriphenylphosphonium bromide

Show more names

methyl à(triphenylphosphonio)-p-toluate bromide(4-methoxycarbonylbenzyl)triphenylbromophosphinoMethyl-alpha-(triphenylphosphonio)-p-toluatebromide(4-methoxycarbonylphenyl)methyl-triphenylphosphanium(4-Methoxycarbonylbenzyl) triphenylphosphine bromide4-METHOXYCARBONYL-BENZYLTRIPHENYLPHOSPHONIUM CHLORIDEmethyl 4-((bromotriphenylphosphoranyl)methyl)benzoate(4-Methoxycarbonylbenzyl)triphenylphosphonium bromide-98%

SCHEMBL197541(4-methoxycarbonylphenyl)methyl-triphenylphosphanium,bromideDTXSID30377378WUWDGVKUXDZLNU-UHFFFAOYSA-MXHGWSZSSCBROEQ-UHFFFAOYSA-MAKOS005071021SY122801DB-005512

Database identifiers

CAS: 1253-46-9
PubChem CID: 2764257
DTXSID: DTXSID30377378
EC Number: 681-195-5

Properties

Computed structural properties

Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 31
Formal charge: 0
Complexity: 475

Physicochemical properties

Melting point: 258 · 258-260°C
storage temp.: Sealed in dry,Room Temperature
Appearance: White to off-white Solid
Water Solubility: Soluble in ethanol. Slightly soluble in water.
Sensitive: Hygroscopic
BRN: 6535869 · 6535869
CAS DataBase Reference: 1253 · 1253-46-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.