Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Iodo-5-nitroaniline |
EINECS | N/A |
CAS No. | 5459-50-7 | Density | 2.101g/cm3 |
PSA | 71.84000 | LogP | 2.88600 |
Solubility | N/A | Melting Point |
158 °C |
Formula | C6H5IN2O2 | Boiling Point | 363.1 °C at 760 mmHg |
Molecular Weight | 264.022 | Flash Point | 173.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Aniline,2-iodo-5-nitro- (7CI,8CI);2-Iodo-5-nitroaniline;NSC 24060; |
Article Data | 12 |
The 2-Iodo-5-nitroaniline is an organic compound with the formula C6H5IN2O2. The IUPAC name of this chemical is 2-iodo-5-nitroaniline. With the CAS registry number 5459-50-7, it is also named as benzenamine, 2-iodo-5-nitro-.
Physical properties about 2-Iodo-5-nitroaniline are: (1)ACD/LogP: 2.72 ; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 49.06 Å2; (6)Index of Refraction: 1.726; (7)Molar Refractivity: 49.94 cm3; (8)Molar Volume: 125.6 cm3; (9)Polarizability: 19.79×10-24cm3; (10)Surface Tension: 70.6 dyne/cm; (11)Density: 2.101 g/cm3; (12)Flash Point: 173.4 °C; (13)Enthalpy of Vaporization: 60.91 kJ/mol; (14)Boiling Point: 363.1 °C at 760 mmHg; (15)Vapour Pressure: 1.84E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc([N+]([O-])=O)cc1N
(2)InChI: InChI=1/C6H5IN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
(3)InChIKey: VKQOHFHGWCXKOA-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H5IN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
(5)Std. InChIKey: VKQOHFHGWCXKOA-UHFFFAOYSA-N