Basic Information | Post buying leads | Suppliers |
Name |
5-Bromo-2-nitro-benzonitrile |
EINECS | N/A |
CAS No. | 89642-50-2 | Density | 1.81 g/cm3 |
PSA | 69.61000 | LogP | 2.75218 |
Solubility | N/A | Melting Point |
117-119℃ (ethanol ) |
Formula | C7H3BrN2O2 | Boiling Point | 328.6 °C at 760 mmHg |
Molecular Weight | 227.017 | Flash Point | 152.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Bromo-2-cyanonitrobenzene;2-nitro-5-broMobenzonitrile;NSC 263787 |
The 5-Bromo-2-nitro-benzonitrile is an organic compound with the formula C7H3BrN2O2. With the CAS registry number 89642-50-2, the IUPAC name of this chemical is 5-bromo-2-nitrobenzonitrile.
Physical properties about 5-Bromo-2-nitro-benzonitrile are: (1)ACD/LogP: 1.65; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 69.61 Å2; (5)Index of Refraction: 1.638; (6)Molar Refractivity: 45.07 cm3; (7)Molar Volume: 125.3 cm3; (8)Polarizability: 17.86×10-24cm3; (9)Surface Tension: 69 dyne/cm; (10)Density: 1.81 g/cm3; (11)Flash Point: 152.5 °C; (12)Enthalpy of Vaporization: 57.1 kJ/mol; (13)Boiling Point: 328.6 °C at 760 mmHg; (14)Vapour Pressure: 0.000187 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(C#N)cc(Br)cc1
(2)InChI: InChI=1/C7H3BrN2O2/c8-6-1-2-7(10(11)12)5(3-6)4-9/h1-3H
(3)InChIKey: LCNNOEPOXHHUQG-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H3BrN2O2/c8-6-1-2-7(10(11)12)5(3-6)4-9/h1-3H
(5)Std. InChIKey: LCNNOEPOXHHUQG-UHFFFAOYSA-N