54757-44-7
5-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-3-METHYL-2,4-PENTADIENYL)TRIPHENYLPHOSPHONIUM BROMIDE
Name5-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-3-METHYL-2,4-PENTADIENYL)TRIPHENYLPHOSPHONIUM BROMIDE
1Identification
【Name】
5-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-3-METHYL-2,4-PENTADIENYL)TRIPHENYLPHOSPHONIUM BROMIDE
【CAS】
【MDL】
MFCD09030653
【English Synonyms】
【Formula】
C34 H36 O P . Br
【MolWeight】
571.535
【Inchi】
InChI=1S/C34H36OP.BrH/c1-26(21-22-33-27(2)25-34(35-5)29(4)28(33)3)23-24-36(30-15-9-6-10-16-30,31-17-11-7-12-18-31)32-19-13-8-14-20-32;/h6-23,25H,24H2,1-5H3;1H/q+1;/p-1/b22-21+,26-23+;
【InChIKey】
InChIKey=HVRPZJVZGIMWFA-IUYYLYFZSA-M
【SMILES】
Cc1cc(c(c(c1/C=C/C(=C/C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)/C)C)C)OC.[Br-]
【MOL File】
5-(4-METHOXY-2,3,6-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:9.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-3-METHYL-2,4-PENTADIENYL)TRIPHENYLPHOSPHONIUM BROMIDE.cml