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4-Nitrophthalonitrile supplier 4-Nitrophthalonitrile China 4-Nitrophthalonitrile 98%
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1. Introduction of 4-Nitrophthalonitrile
The 4-Nitrophthalonitrile, with its CAS NO 31643-49-9, is a kind of light yellow, light greenish or light grey. It has synonyms of Phthalonitrile,4-nitro- (6CI,8CI);1,2-Dicyano-4-nitrobenzene;3,4-Dicyanonitrobenzene;4-Nitro-1,2-benzenedicarbonitrile;4-Nitro-1,2-dicyanobenzene;4-Nitro-1,2-phthalonitrile and 4-Nitro-o-benzenedinitrile.
2. Properties of 4-Nitrophthalonitrile
ACD/LogP: 0.651 ACD/LogD (pH 5.5): 0.65 ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 5.5): 1.84 ACD/BCF (pH 7.4): 1.84
ACD/KOC (pH 5.5): 53.81 ACD/KOC (pH 7.4): 53.81
#H bond acceptors: 5 #Freely Rotating Bonds: 1 Polar Surface Area: 93.4 2
Index of Refraction: 1.602 Molar Refractivity: 41.921 cm3
Molar Volume: 122.128 cm3 Polarizability: 16.619 10-24cm3
Surface Tension: 73.620002746582 dyne/cm Density: 1.418 g/cm3
Flash Point: 189.588 °C Enthalpy of Vaporization: 63.927 kJ/mol
Boiling Point: 389.871 °C at 760 mmHg
3. Structure descriptors of 4-Nitrophthalonitrile
SMILES:N#Cc1cc(ccc1C#N)[N+]([O-])=O
Std. InChI:InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H
Std. InChIKey:NTZMSBAAHBICLE-UHFFFAOYSA-N
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