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| CAS No.: | 5153-73-1 |
|---|---|
| Name: | 1-(4-CYANOPHENYL)-2-NITROETHENE |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C9H6N2O2 |
| Molecular Weight: | 174.159 |
| Synonyms: | 1-(4-CYANOPHENYL)-2-NITROETHENE;TRANS-4-(2-NITROETHENYL)BENZONITRILE;TRANS-4-(2-NITROVINYL)BENZONITRILE;(E)-p-(2-Nitrovinyl)benzonitrile;(E)-p-Cyano-beta-nitrostyrene;4-[(E)-2-Nitroethenyl)benzonitrile;E-4-Cyano-beta-nitrostyrene;(E)-4-(2-Nitrovinyl)benzonitrile |
| Density: | 1.25 |
| Melting Point: | 187 °C |
| Boiling Point: | 353.5 °C at 760 mmHg |
| Flash Point: | 167.6 °C |
| Risk Codes: | 20/21/22 |
| Safety: | 36/37/39 |
| PSA: | 69.61000 |
| LogP: | 2.32888 |
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- Total:18 Page 1 of 1 1
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Specification
The 4-(2-Nitroethenyl)benzonitrile is an organic compound with the formula C9H6N2O2. The systematic name of this chemical is 4-[(E)-2-nitroethenyl]benzonitrile. With the CAS registry number 5153-73-1, it is also named as benzonitrile, 4-[(E)-2-nitroethenyl]-.
Physical properties about 4-(2-Nitroethenyl)benzonitrile are: (1)ACD/LogP: 1.71; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 69.61 Å2; (5)Index of Refraction: 1.586; (6)Molar Refractivity: 46.52 cm3; (7)Molar Volume: 138.4 cm3; (8)Polarizability: 18.44×10-24cm3; (9)Surface Tension: 55.3 dyne/cm; (10)Density: 1.25 g/cm3; (11)Flash Point: 167.6 °C; (12)Enthalpy of Vaporization: 59.85 kJ/mol; (13)Boiling Point: 353.5 °C at 760 mmHg; (14)Vapour Pressure: 3.56E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(\C=C\[N+]([O-])=O)cc1
(2)InChI: InChI=1/C9H6N2O2/c10-7-9-3-1-8(2-4-9)5-6-11(12)13/h1-6H/b6-5+
(3)InChIKey: CVWPMONBGNBYCJ-AATRIKPKBI
(4)Std. InChI: InChI=1S/C9H6N2O2/c10-7-9-3-1-8(2-4-9)5-6-11(12)13/h1-6H/b6-5+
(5)Std. InChIKey: CVWPMONBGNBYCJ-AATRIKPKSA-N