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Methyltriphenylphosphonium Bromide

CAT: 0572-TRC-M331180-25GSize: 25 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-M331180-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1779-49-3
Synonyms
M 0779; MTPPB; Triphenylmethylphosphonium Bromide; Triphenylphosphonium Methobromide; Triphenylphosphonium Methylbromide
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
[Br-].C[P+](c1ccccc1)(c2ccccc2)c3ccccc3
Molecular Formula
C19 H18 P . Br
Molecular Weight
357.22
InChI
InChI=1S/C19H18P.BrH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1
Additionnal Information
IUPAC name: methyl(triphenyl)phosphonium;bromide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyltriphenyliphosphonium bromide
CAS Number1779-49-3
PubChem CID74505
IUPAC Namemethyl(triphenyl)phosphanium bromide
Molecular FormulaC19H18BrP
Molecular Weight357.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity235
SMILES
C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChI
InChI=1S/C19H18P.BrH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1
InChIKey
LSEFCHWGJNHZNT-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Methyltriphenyliphosphonium bromide
CAS: 1779-49-3
CID: 74505
Formula: C19H18BrP
MW: 357.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass356.03295
Monoisotopic Mass356.03295
Topological Polar Surface Area0 Ų
Heavy Atom Count21
Formal Charge0
Complexity235
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

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