(3,4-Dimethoxybenzyl)triphenylphosphonium bromide

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Catalog Number
ACM70219099
Product Name
(3,4-Dimethoxybenzyl)triphenylphosphonium bromide
Structure
Structure
CAS
70219-09-9
Category
Heterocyclic Organic Compound
Synonyms
(3,4-Dimethoxybenzyl)triphenylphosphonium Bromide, 70219-09-9, ACMC-209odg, CTK5D2057, ANW-35858, AKOS015833081, AG-L-24143, D4072
IUPAC Name
(3,4-Dimethoxyphenyl)methyl-triphenylphosphanium;bromide
Molecular Weight
493.37
Molecular Formula
C27H26BrO2P
Canonical SMILES
COC1=C(C=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC.[Br-]
InChI
InChI=1S/C27H26O2P.BrH/c1-28-26-19-18-22(20-27(26)29-2)21-30(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25;/h3-20H,21H2,1-2H3;1H/q+1;/p-1
InChI Key
BLALYSCMLUQKSG-UHFFFAOYSA-M
Melting Point
239.0-243.0 °C
Storage
Storage at -4 °C (1-2weeks), longer storage period at -20 °C (1-2years)
Complexity
446
Covalently-Bonded Unit Count
2
Exact Mass
492.08538
H-Bond Acceptor
3
H-Bond Donor
0
Heavy Atom Count
31
Monoisotopic Mass
492.08538
Topological Polar Surface Area
18.5 Ų
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