CAS 1560-54-9 Allyltriphenylphosphonium bromide (HCID 197740)

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Basic information

CAS: 1560-54-9
Standard SMILES: C=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: FWYKRJUVEOBFGH-UHFFFAOYSA-M
Molecular formula: C21H20BrP
Average molar mass: 383.3 g/mol
Monoisotopic mass: 382.0486

Names & identifiers

Preferred name: Allyltriphenylphosphonium bromide
IUPAC: triphenyl(prop-2-enyl)phosphanium bromide
English name: Allyltriphenylphosphonium bromide
Molecular formula: C21H20BrP
Molecular weight: 383.26

Names & synonyms

Allyltriphenylphosphonium bromide1560-54-9Triphenyl allylphosphonium bromidePhosphonium, triphenyl-2-propenyl-, bromidePhosphonium, allyltriphenyl-, bromideEINECS 216-332-6QT9PR2Z47KNSC 59815NSC 110609Phosphonium, triphenyl-2-propen-1-yl-, bromide (1:1)NSC-59815NSC-110609

Show more names

TALTALHTAL-HTALDORallyltriphenylphosphoniumallyltriphenyl-phosphoniubromideAllytriphenylphosphonium bromide

TRIPHENYLALLYLPHOSPHONIUM BROMIDERefChem:554927Phosphonium, triphenyl-2-propenyl-, bromide (9CI)216-332-6MFCD00011808triphenyl(prop-2-en-1-yl)phosphanium bromidetriphenyl(prop-2-enyl)phosphanium;bromideWLN: 1U2PR&R&R &E

Database identifiers

CAS: 1560-54-9
PubChem CID: 197740
DTXSID: DTXSID90935337
ChEMBL: CHEMBL3229256
UNII

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: 284

Physicochemical properties

Melting point: 222 · 222-225 °C (lit.)
storage temp.: Sealed in dry,Room Temperature
form: Powder
color: White
Water Solubility: decomposes
Sensitive: Hygroscopic
BRN: 3579053 · 3579053
InChI: InChI=1S/C21H20P.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;/h2-17H,1,18H2;1H/q+1;/p-1
InChIKey: FWYKRJUVEOBFGH-UHFFFAOYSA-M
SMILES: [P+](CC=C)(C1C=CC=CC=1)(C1=CC=CC=C1)C1C=CC=CC=1.[Br-]
CAS DataBase Reference: 1560 · 1560-54-9(CAS DataBase Reference)
FDA UNII: 9 PR2Z47K · QT9PR2Z47K
UNSPSC Code: 12352002 · 12352002
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: TA1843000
hs_code: 29310095
Toxicity: mouse,LD50,intravenous,22mg/kg (22mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01708,
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 1 item

UsesAllyltriphenylphosphonium bromide is used for the first time in the preparation of DES. It has been shown to be part of Phosphonium salts, having antiviral activity against influenza virus A. It can be used in witting olefination of aldehydes for preparation of conjugated dienes.