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| CAS No.: | 6970-77-0 |
|---|---|
| Name: | N-(4,5-DIMETHYL-2-NITRO-PHENYL)-ACETAMIDE |
| Molecular Structure: | |
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| Formula: | C10H12N2O3 |
| Molecular Weight: | 208.217 |
| Synonyms: | 3',4'-Acetoxylidide,6'-nitro- (6CI,7CI);N-(4,5-Dimethyl-2-nitrophenyl)acetamide;NSC 62092; |
| Density: | 1.247g/cm3 |
| Melting Point: | 108 °C(Solv: ethanol (64-17-5)) |
| Boiling Point: | 407.5 °C at 760 mmHg |
| Flash Point: | 200.2 °C |
| PSA: | 74.92000 |
| LogP: | 2.76620 |
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- Total:17 Page 1 of 1 1
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Specification
This chemical is called 4',5'-Dimethyl-2'-nitroacetanilide, and its IUPAC name is N-(4,5-dimethyl-2-nitrophenyl)acetamide. With the molecular formula of C10H12N2O3, its molecular weight is 208.21. The CAS registry number of this chemical is 6970-77-0.
Other characteristics of the 4',5'-Dimethyl-2'-nitroacetanilide can be summarised as followings: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 16.96; (6)ACD/BCF (pH 7.4): 16.96; (7)ACD/KOC (pH 5.5): 263.98; (8)ACD/KOC (pH 7.4): 263.98; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 56.72 cm3; (15)Molar Volume: 166.9 cm3; (16)Polarizability: 22.48×10-24cm3; (17)Surface Tension: 49 dyne/cm; (18)Density: 1.247 g/cm3; (19)Flash Point: 200.2 °C; (20)Enthalpy of Vaporization: 65.94 kJ/mol; (21)Boiling Point: 407.5 °C at 760 mmHg; (22)Vapour Pressure: 7.52E-07 mmHg at 25°C.
Production method of this chemical: The 4',5'-Dimethyl-2'-nitroacetanilide could be obtained the reactants of acetic acid anhydride and 4,5-dimethyl-2-nitro-aniline. This reaction needs the reagent of AcOH. The yield is 100 %. In addition, this reaction should be taken for 1 hours. The other condition is heating.
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Uses of this chemical: The 4-acetylamino-5-nitro-phthalic acid could be obtained by the reactant of acetic acid-(4,5-dimethyl-2-nitro-anilide). This reaction needs the reagents of KMnO4, H2SO4, and the solvent of H2O. The yield is 59 %.
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You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1c(cc(c(c1)C)C)NC(=O)C
2.InChI: InChI=1/C10H12N2O3/c1-6-4-9(11-8(3)13)10(12(14)15)5-7(6)2/h4-5H,1-3H3,(H,11,13)
3.InChIKey: DNUIVCQNUPJXIA-UHFFFAOYAE