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Triphenylphosphine Hydrobromide

CAT: 0572-TRC-T886500-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T886500-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6399-81-1
Synonyms
Triphenylphosphine compd. with Hydrobromic Acid; Triphenylphosphonium bromide
Hazard Statement
No Data Available
Smiles
Br.c1ccc(cc1)P(c2ccccc2)c3ccccc3
Molecular Formula
C18H16BrP
Molecular Weight
343.2
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Triphenylphosphonium bromide
CAS Number6399-81-1
PubChem CID80811
IUPAC Nametriphenylphosphane;hydrobromide
Molecular FormulaC18H16BrP
Molecular Weight343.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity202
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Br
InChI
InChI=1S/C18H15P.BrH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H
InChIKey
CMSYDJVRTHCWFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triphenylphosphonium bromide
CAS: 6399-81-1
CID: 80811
Formula: C18H16BrP
MW: 343.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight343.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass342.01730
Monoisotopic Mass342.01730
Topological Polar Surface Area0 Ų
Heavy Atom Count20
Formal Charge0
Complexity202
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