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(o-Nitrobenzylidene)phenylacetonitrile

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Name

(o-Nitrobenzylidene)phenylacetonitrile

EINECS N/A
CAS No. 19016-67-2 Density 1.265 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C15H10N2O2 Boiling Point 413.4 °C at 760 mmHg
Molecular Weight 250.257 Flash Point 203.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 19016-67-2 ((2Z)-3-(2-nitrophenyl)-2-phenylprop-2-enenitrile) Hazard Symbols N/A
Synonyms

(Z)-3-(2-Nitrophenyl)-2-phenyl-prop-2-enenitrile;

 

(o-Nitrobenzylidene)phenylacetonitrile Specification

The (o-Nitrobenzylidene)phenylacetonitrile has CAS registry number 19016-67-2. This chemical's molecular formula is C15H10N2O2 and molecular weight is 250.252100. What's more, its IUPAC name is (Z)-3-(2-Nitrophenyl)-2-phenylprop-2-enenitrile.

Physical properties about (o-Nitrobenzylidene)phenylacetonitrile are: (1)ACD/LogP: 4.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 69.61 Å2; (7)Index of Refraction: 1.664; (8)Molar Refractivity: 73.38 cm3; (9)Molar Volume: 197.7 cm3; (10)Polarizability: 29.09×10-24 cm3; (11)Surface Tension: 58 dyne/cm; (12)Density: 1.265 g/cm3; (13)Flash Point: 203.8 °C; (14)Enthalpy of Vaporization: 66.62 kJ/mol; (15)Boiling Point: 413.4 °C at 760 mmHg; (16)Vapour Pressure: 4.81E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c2ccccc2\C=C(/C#N)c1ccccc1
(2) InChI: InChI=1/C15H10N2O2/c16-11-14(12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)17(18)19/h1-10H/b14-10+
(3) InChIKey: QKDHOOPDLFPJKV-GXDHUFHOBK

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