54486-05-4
(4-METHOXY-2,3,6-TRIMETHYLBENZYL)-TRIPHENYLPHOSPHONIUM BROMIDE
Name(4-METHOXY-2,3,6-TRIMETHYLBENZYL)-TRIPHENYLPHOSPHONIUM BROMIDE
1Identification
【Name】
(4-METHOXY-2,3,6-TRIMETHYLBENZYL)-TRIPHENYLPHOSPHONIUM BROMIDE
【CAS】
【MDL】
MFCD09753507
【English Synonyms】
【Formula】
C29 H30 O P . Br
【MolWeight】
505.433
【Inchi】
InChI=1S/C29H30OP.BrH/c1-22-20-29(30-4)24(3)23(2)28(22)21-31(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27;/h5-20H,21H2,1-4H3;1H/q+1;/p-1
【InChIKey】
InChIKey=IYZVCXOMXVTXGD-UHFFFAOYSA-M
【SMILES】
Cc1cc(c(c(c1C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)C)C)OC.[Br-]
【MOL File】
(4-METHOXY-2,3,6-TRI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4-METHOXY-2,3,6-TRIMETHYLBENZYL)-TRIPHENYLPHOSPHONIUM BROMIDE.cml