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Ethyltriphenylphosphonium Bromide

CAT: 0572-TRC-E931950-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-E931950-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1530-32-1
Synonyms
TEP; TEP (onium compound); Triphenylethylphosphonium Bromide
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
[Br-].CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
Molecular Formula
C20 H20 P . Br
Molecular Weight
371.25
InChI
InChI=1S/C20H20P.BrH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1
Additionnal Information
IUPAC name: ethyl(triphenyl)phosphanium;bromide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Phosphonium, ethyltriphenyl-, bromide (1:1)
CAS Number1530-32-1
PubChem CID73727
IUPAC Nameethyl(triphenyl)phosphanium bromide
Molecular FormulaC20H20BrP
Molecular Weight371.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity247
SMILES
CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChI
InChI=1S/C20H20P.BrH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1
InChIKey
JHYNXXDQQHTCHJ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Phosphonium, ethyltriphenyl-, bromide (1:1)
CAS: 1530-32-1
CID: 73727
Formula: C20H20BrP
MW: 371.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight371.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass370.04860
Monoisotopic Mass370.04860
Topological Polar Surface Area0 Ų
Heavy Atom Count22
Formal Charge0
Complexity247
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes