Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Nitro-2-Vinyl-Benzene |
EINECS | N/A |
CAS No. | 579-71-5 | Density | 1.172 g/cm3 |
PSA | 45.82000 | LogP | 2.76100 |
Solubility | N/A | Melting Point |
13-14℃ |
Formula | C8H7NO2 | Boiling Point | 249.1 °C at 760 mmHg |
Molecular Weight | 149.149 | Flash Point | 112.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Nitrostyrene;o-Nitrostyrene;1-Ethenyl-2-nitrobenzene;Styrene,o-nitro- (8CI); |
Article Data | 54 |
The 1-Nitro-2-Vinyl-Benzene, with CAS registry number 579-71-5, has the systematic name of 1-ethenyl-2-nitrobenzene. Besides this, it is also called 1-Nitro-2-vinyl-benzene. And the chemical formula of chemical is C8H7NO2.
Physical properties of 1-Nitro-2-Vinyl-Benzene: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.18; (6)ACD/BCF (pH 7.4): 30.18; (7)ACD/KOC (pH 5.5): 398.86; (8)ACD/KOC (pH 7.4): 398.86; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 43.72 cm3; (15)Molar Volume: 127.2 cm3; (16)Polarizability: 17.33×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.172 g/cm3; (19)Flash Point: 112.2 °C; (20)Enthalpy of Vaporization: 46.66 kJ/mol; (21)Boiling Point: 249.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0369 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccccc1\C=C
(2)InChI: InChI=1/C8H7NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h2-6H,1H2
(3)InChIKey: VKVLTUQLNXVANB-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H7NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h2-6H,1H2
(5)Std. InChIKey: VKVLTUQLNXVANB-UHFFFAOYSA-N