2-(Di-p-tolylphosphino)benzaldehyde
Product Information
Molecular Formula
C21H19OP
Molecular Weight
318.35
Description
2-(Di-p-tolylphosphino)benzaldehyde (CAS# 1202865-03-9 ) is a useful research chemical.
Synonyms
2-bis(4-methylphenyl)phosphanylbenzaldehyde
IUPAC Name
2-bis(4-methylphenyl)phosphanylbenzaldehyde
SMILES
CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=CC=C3C=O
InChI
InChI=1S/C21H19OP/c1-16-7-11-19(12-8-16)23(20-13-9-17(2)10-14-20)21-6-4-3-5-18(21)15-22/h3-15H,1-2H3
InChI Key
IDDRQJVTYBKJLP-UHFFFAOYSA-N
Melting Point
105-111 °C
Flash Point
Not applicable
Purity
95 %
Storage
Inert atmosphere, 2-8 °C
LogP
3.87410
Computed Properties
XLogP3
4.8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
4
Exact Mass
318.117352223 g/mol
Monoisotopic Mass
318.117352223 g/mol
Topological Polar Surface Area
17.1Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
344
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
