Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Chloro-N-(2-methyl-4-nitro-phenyl)acetamide |
EINECS | N/A |
CAS No. | 83473-10-3 | Density | 1.411 g/cm3 |
PSA | 74.92000 | LogP | 2.67670 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H9ClN2O3 | Boiling Point | 424.2 °C at 760 mmHg |
Molecular Weight | 228.635 | Flash Point | 210.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
acetamide, 2-chloro-N-(2-methyl-4-nitrophenyl)-;2-chloro-N-(2-methyl-4-nitrophenyl)acetamide; |
Article Data | 5 |
The 2-Chloro-N-(2-methyl-4-nitro-phenyl)acetamide, with the CAS registry number 83473-10-3, is also called acetamide, 2-chloro-N-(2-methyl-4-nitrophenyl)-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H9ClN2O3.
The characteristics of 2-Chloro-N-(2-methyl-4-nitro-phenyl)acetamide are as followings: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 62.61; (6)ACD/BCF (pH 7.4): 62.6; (7)ACD/KOC (pH 5.5): 672.42; (8)ACD/KOC (pH 7.4): 672.38; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 56.74 cm3; (15)Molar Volume: 162 cm3; (16)Polarizability: 22.49×10-24cm3; (17)Surface Tension: 55.6 dyne/cm; (18)Density: 1.411 g/cm3; (19)Flash Point: 210.4 °C; (20)Enthalpy of Vaporization: 67.87 kJ/mol; (21)Boiling Point: 424.2 °C at 760 mmHg; (22)Vapour Pressure: 2.1E-07 mmHg at 25°C.
Preparation of 2-Chloro-N-(2-methyl-4-nitro-phenyl)acetamide: This chemical can be prepared by chloroacetyl chloride and 2-methyl-4-nitro-aniline. The reaction will need reagent AcONa.3H2O, and the menstruum acetic acid. The reaction time is 35 minutes, and the yield is about 74%.
Uses of 2-Chloro-N-(2-methyl-4-nitro-phenyl)acetamide: It can react with diethylamine to produce 2-diethylamino-N-(2-methyl-4-nitro-phenyl)-acetamide. This reaction will need reagent NaHCO3, and the menstruum benzene. And the yield is about 93%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1C)[N+]([O-])=O)CCl
(2)InChI: InChI=1/C9H9ClN2O3/c1-6-4-7(12(14)15)2-3-8(6)11-9(13)5-10/h2-4H,5H2,1H3,(H,11,13)
(3)InChIKey: SWSWELOJKQQJGV-UHFFFAOYAX