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1-Pyrenecarboxaldehyde,2,2-diphenylhydrazone
1.Introduction of 95993-52-5
1-Pyrenecarboxaldehyde,2,2-diphenylhydrazone has CAS registry number of 95993-52-5. Its synonyms are pyrene-3-al
1.Introduction of 95993-52-5
1-Pyrenecarboxaldehyde,2,2-diphenylhydrazone has CAS registry number of 95993-52-5. Its synonyms are pyrene-3-aldehyde-N,N-diphenylhydrazone, 1-pyrenecarboxaldehyde, diphenylhydrazone, 1-pyrenecarboxaldehyde,diphenylhydrazone, 1-(2,2-diphenylhydrazonomethyl)pyrene, 1-pyrenecarbaldehyde diphenyl hydrazone, pyrene-3-carbaldehyde diphenylhydrazone. It is a kind of white powder which is used as electronic material.
2.Properties of 95993-52-5
ACD/LogP: 8.165
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 8.17
ACD/LogD (pH 7.4): 8.17
ACD/BCF (pH 5.5): 944978.40
ACD/BCF (pH 7.4): 945039.70
ACD/KOC (pH 5.5): 658821.20
ACD/KOC (pH 7.4): 658863.90
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
Polar Surface Area: 15.6?2
Index of Refraction: 1.667
Molar Refractivity: 127.916 cm3
Molar Volume: 343.496 cm3
Polarizability: 50.71 10-24cm3
Surface Tension: 46.951000213623 dyne/cm
Density: 1.154 g/cm3
Flash Point: 316.112 °C
Enthalpy of Vaporization: 89.198 kJ/mol
Boiling Point: 599.079 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
3.Structure Descriptors of 95993-52-5
(1)InChI=1S/C29H20N2/c1-3-10-25(11-4-1)31(26-12-5-2-6-13-26)30-20-24-17-16-23-15-14-21-8-7-9-22-18-19-27(24)29(23)28(21)22/h1-20H/b30-20+
(2)InChIKey: XFJPUTGGRPTSHI-TWKHWXDSSA-N
(3)Canonical SMILES : C(=N/N(c1ccccc1)c2ccccc2)\c6ccc5ccc4cccc3ccc6c5c34
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