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CAS No.: | 3383-43-5 |
---|---|
Name: | 3-(4-Nitrophenyl)-3-oxopropanenitrile |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C9H6 N2 O3 |
Molecular Weight: | 190.158 |
Synonyms: | Acetonitrile,(p-nitrobenzoyl)- (7CI,8CI); (4-Nitrobenzoyl)acetonitrile;3-(4-Nitrophenyl)-3-oxopropanenitrile |
Density: | 1.332g/cm3 |
Melting Point: | 135 °C |
Boiling Point: | 387.1°C at 760 mmHg |
Flash Point: | 187.9°C |
PSA: | 86.68000 |
LogP: | 2.21438 |
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Molecular Structure of 4-Nitrobenzoylacetonitrile (CAS No.3383-43-5):
Molecular Formula: C9H6N2O3
Molecular Weight: 190.1555
CAS No: 3383-43-5
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 86.68 Å2
Index of Refraction: 1.578
Molar Refractivity: 47.37 cm3
Molar Volume: 142.6 cm3
Surface Tension: 59.3 dyne/cm
Density: 1.332 g/cm3
Flash Point: 187.9 °C
Enthalpy of Vaporization: 63.61 kJ/mol
Boiling Point: 387.1 °C at 760 mmHg
Vapour Pressure: 3.37E-06 mmHg at 25°C
InChI: InChI=1/C9H6N2O3/c10-6-5-9(12)7-1-3-8(4-2-7)11(13)14/h1-4H,5H2
InChIKey: DXYPCBNFJFSXFY-UHFFFAOYAN
Std. InChI: InChI=1S/C9H6N2O3/c10-6-5-9(12)7-1-3-8(4-2-7)11(13)14/h1-4H,5H2
Std. InChIKey: DXYPCBNFJFSXFY-UHFFFAOYSA-N
Systematic Name: 3-(4-Nitrophenyl)-3-oxopropanenitrile
Product Categories: Pharmacetical
4-Nitrobenzoylacetonitrile (CAS No.3383-43-5), its synonyms are 3-(4-Nitrophenyl)-3-oxopropanenitrile ; (p-Nitrobenzoyl)acetonitrile ; 3-(4-Nitrophenyl)-3-oxopropionitrile ; Benzenepropanenitrile, 4-nitro-beta-oxo- .