Propyltriphenylphosphonium bromide

HCID 80374CAS 1703757-22-5

Substructure search Find similar structures

Basic information

Standard SMILES: CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: XMQSELBBYSAURN-UHFFFAOYSA-M
Molecular formula: C21H22BrP
Average molar mass: 385.3 g/mol
Monoisotopic mass: 384.06424943

Names & identifiers

Preferred name: Propyltriphenylphosphonium bromide
IUPAC: triphenyl(propyl)phosphanium bromide
English name: Triphenyl(propyl)phosphonium bromide
Molecular formula: C21H22BrP
Molecular weight: 385.28

Names & synonyms

6228-47-3Propyltriphenylphosphonium bromiden-Propyltriphenylphosphonium bromideTriphenylpropylphosphonium bromide(1-Propyl)triphenylphosphonium bromidetriphenyl(propyl)phosphanium bromidetriphenyl(propyl)phosphanium;bromideMFCD00011843Phosphonium, triphenylpropyl-, bromideC21H22BrPtriphenyl propyl phosphonium bromideTriphenylpropylphosphonium Bromide; Bromo(propyl)triphenylphosphorane; NSC 50539; Propyltriphenylphosphonium Bromide;

Show more names

NSC 50539triphenyl(propTriphenylpropylphospPhosphonium,triphenylpropyl-PropyltriphenylphosphoniuM broPropyltriphenylphosphonium bromldeN-PROPYLTRIPHENYLPHOSPHONIUMCHLORIDE

EINECS 228-330-2n-propyl triphenylphosphonium bromidePropyltriphenylphosphonium(n-Propyl)triphenylphosphoniuMSCHEMBL164032propyl triphenylphosphine bromideCHEMBL3334701Propyltriphenlyphosphonium bromide

Database identifiers

CAS: 1703757-22-5、6228-47-3
PubChem CID: 80374
DTXSID: DTXSID80977847
ChEMBL: CHEMBL3334701
EC Number: 228-330-2

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 260

Physicochemical properties

Melting point: 236 · 236-238 °C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: DMSO (Sparingly, Heated), Methanol (Slightly)
form: Solid
color: White to Off-White
Water Solubility: soluble
Sensitive: Hygroscopic
BRN: 3599726 · 3599726
Stability: Hygroscopic
InChI: InChI=1S/C21H22P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1
InChIKey: XMQSELBBYSAURN-UHFFFAOYSA-M
SMILES: [P+](CCC)(C1C=CC=CC=1)(C1C=CC=CC=1)C1=CC=CC=C1.[Br-]
CAS DataBase Reference: 6228 · 6228-47-3(CAS DataBase Reference)
UNSPSC Code: 12352002 · 12352002
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312
Precautionary statements: 280 · P280
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-21/22
Safety Statements: 36 · 36/37-36/37/39-26
WGK Germany: 3 · 3
F: 3 · 3-8
HS Code: 29319090 · 29319090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2% (1 of 50) of reports.

Warning

H302 (86%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 12-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30276

Hazard Classes and CategoriesAcute Tox. 4 (86%)

Safety data

F: 3-8
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29319090
risk_code: 36/37/38-21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 36/37-36/37/39-26
Storage Class: 11 - Combustible Solids
Hazard statements: H302+H312
REACH Registrations: Inactive
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P280

Chemistry & industry

Applications · 2 items

Usesn-Propyltriphenylphosphonium Bromide, is an analogue of phosphonium, acting as reversible inhibitors of cholinesterases of different animals. It has also been shown to be part of Phosphonium salts, having antiviral activity against influenza virus A.

Usessuzuki reaction