(2-(Dimethylamino)ethyl)triphenylphosphonium bromide

HCID 2724136

Notes Reactions

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Basic information

CAS: 21331-80-6
Standard SMILES: CN(C)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: YIIHEMGEQQWSMA-UHFFFAOYSA-M
Molecular formula: C22H25BrNP
Average molar mass: 414.3 g/mol
Monoisotopic mass: 413.09079853

Names & identifiers

Preferred name: (2-(Dimethylamino)ethyl)triphenylphosphonium bromide
IUPAC: 2-(dimethylamino)ethyl-triphenylphosphanium bromide
English name: (2-Dimethylaminoethyl)triphenylphosphonium bromide
Molecular formula: C22H25BrNP
Molecular weight: 414.32

Names & synonyms

(2-(Dimethylamino)ethyl)triphenylphosphonium bromide[2-(dimethylamino)ethyl]triphenylphosphonium bromideEINECS 244-335-2RefChem:395093244-335-221331-80-6(2-Dimethylaminoethyl)triphenylphosphonium bromideMFCD000117942-(dimethylamino)ethyl-triphenylphosphanium;bromide2-Dimethylaminoethyltriphenylphosphonium BromideC22H25BrNPSCHEMBL143506

Show more names

2-DimethylaminoethyltriphenylphosphoniumBromide>(2-Dimethylaminoethyl)triphenylphosphonium bromide2-(dimethylamino)ethyl-triphenylphosphanium,bromide(2-Dimethylaminoethyl)triphenylphosphonium bromide,97%

DTXSID30943890AKOS015833079SY111990DB-045552CS-0324002D1654NS00050432triphenyldimethylaminoethylphosphonium bromide

Database identifiers

CAS: 21331-80-6
PubChem CID: 2724136
DTXSID: DTXSID30943890
EC Number: 244-335-2

Properties

Computed structural properties

Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 303

Physicochemical properties

Melting point: 195 · 195-200 °C (dec.)(lit.)
storage temp.: Inert atmosphere,Room Temperature
form: Powder
color: Almost white to yellow-brown
Sensitive: Hygroscopic
BRN: 4072092 · 4072092
CAS DataBase Reference: 21331 · 21331-80-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
F: 3 · 3
HS Code: 29310099 · 29310099

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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 3
wgk: 3
hs_code: 29310099
risk_code: 36/37/38
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 2 items

Description2-DiMethylaMinoethyltriphenylphosphoniuM BroMide is precursor to dimethylaminoethylidenetriphenylphosphorane, which condenses with aldehydes and ketones to give allylic amines.

Uses[2-(Dimethylamino)ethyl]triphenylphosphonium Bromide, can be used as a polymerizable cationic surfactant for the intercalation of montmorillonite (MMT), used in the synthesis of polystyrene-clay nanocomposite materials. It can also be used for the synthesis of some analogs of morphine 6-glucuronide through Wittig reactions.