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CAS No.: | 83473-10-3 |
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Name: | 2-CHLORO-N-(2-METHYL-4-NITROPHENYL)ACETAMIDE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C9H9ClN2O3 |
Molecular Weight: | 228.635 |
Synonyms: | acetamide, 2-chloro-N-(2-methyl-4-nitrophenyl)-;2-chloro-N-(2-methyl-4-nitrophenyl)acetamide; |
Density: | 1.411 g/cm3 |
Boiling Point: | 424.2 °C at 760 mmHg |
Flash Point: | 210.4 °C |
PSA: | 74.92000 |
LogP: | 2.67670 |
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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