154959-48-5
(5-PHENYL-TETRAZOL-1-YL)-(TRIPHENYL-PHOSPHANYLIDENE)-ACETONITRILE
Name(5-PHENYL-TETRAZOL-1-YL)-(TRIPHENYL-PHOSPHANYLIDENE)-ACETONITRILE
1Identification
【Name】
(5-PHENYL-TETRAZOL-1-YL)-(TRIPHENYL-PHOSPHANYLIDENE)-ACETONITRILE
【CAS】
【MDL】
MFCD00547621
【English Synonyms】
【Formula】
C27 H20 N5 P
【MolWeight】
445.464
【Inchi】
InChI=1S/C27H20N5P/c28-21-26(32-27(29-30-31-32)22-13-5-1-6-14-22)33(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H
【InChIKey】
InChIKey=RLLXGPLEJBOGNM-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2nnnn2C(=P(c3ccccc3)(c4ccccc4)c5ccccc5)C#N
【MOL File】
(5-PHENYL-TETRAZOL-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(5-PHENYL-TETRAZOL-1-YL)-(TRIPHENYL-PHOSPHANYLIDENE)-ACETONITRILE.cml