Synonyms
A826259; FT-0604892; AC1L52RW; cyanomethyl(triphenyl)phosphanium chloride; 2-(triphenylphosphino)ethanenitrile, chloride; AK117458; SCHEMBL666994; C1739; KS-00000EK3; ACM4336703;
IUPAC Name
cyanomethyl(triphenyl)phosphanium;chloride
Molecular Weight
337.79
Molecular Formula
C20H17ClNP
Canonical SMILES
C1=CC=C(C=C1)[P+](CC#N)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-];
InChI
ARPLQAMUUDIHIT-UHFFFAOYSA-M
InChI Key
InChI=1S/C20H17NP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,17H2;1H/q+1;/p-1
Melting Point
268-270 °C
Purity
98%
Appearance
Solid
Complexity
332
Covalently-Bonded Unit Count
2
EC Number
224-383-0
Exact Mass
337.079g/mol
H-Bond Acceptor
2
Heavy Atom Count
23
Isomeric SMILES
C1=CC=C(C=C1)[P+](CC#N)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
Monoisotopic Mass
337.079g/mol
NSC Number
92174
Rotatable Bond Count
4
Topological Polar Surface Area
23.8A^2
