Basic information
- Name:
N-(2,6-Dimethylphenyl)-4-nitro-benzamide
- CAS No.:
64594-44-1
- Molecular Structure:
- Formula:
- C15H14N2O3
- Molecular Weight:
- 270.2833
- Synonyms:
- N-(2,6-Dimethylphenyl)-4-nitrobenzamide;Benzamide, N-(2,6-dimethylphenyl)-4-nitro-;
- Density:
- 1.27 g/cm3
- Boiling Point:
- 357.8 °C at 760 mmHg
- Flash Point:
- 170.2 °C
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Specification
This chemical is called N-(2,6-Dimethylphenyl)-4-nitro-benzamide, and it can also be named as Benzamide, N-(2,6-dimethylphenyl)-4-nitro-. With the molecular formula of C15H14N2O3, its molecular weight is 270.2833. The CAS registry number of this chemical is 64594-44-1, and its systematic name is N-(2,6-Dimethylphenyl)-4-nitrobenzamide.
Other characteristics of the N-(2,6-Dimethylphenyl)-4-nitro-benzamide can be summarised as followings: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.6; (4)ACD/LogD (pH 7.4): 3.6; (5)ACD/BCF (pH 5.5): 321.29; (6)ACD/BCF (pH 7.4): 321.29; (7)ACD/KOC (pH 5.5): 2167.93; (8)ACD/KOC (pH 7.4): 2167.89; (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: 1.644; (14)Molar Refractivity: 77.02 cm3; (15)Molar Volume: 212.6 cm3; (16)Polarizability: 30.53×10-24 cm3; (17)Surface Tension: 54.4 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 170.2 °C; (20)Enthalpy of Vaporization: 60.32 kJ/mol; (21)Boiling Point: 357.8 °C at 760 mmHg; (22)Vapour Pressure: 2.66E-05 mmHg at 25°C.
Production method of this chemical: The N-(2,6-Dimethylphenyl)-4-nitro-benzamide could be obtained by the reactant of 4-nitro-benzoyl chloride and 2,6-dimethyl-aniline. This reaction needs the reagent of pyridine, and the solvent of tetrahydrofuran. The yield is 78 %. In addition, this reaction should be taken for 3 hours at the ambient temperature.
-4-nitro-benzamide.png)
Uses of this chemical: The 4-amino-N-(2,6-dimethylphenyl)-benzamide could be obtained by the reactant of N-(2,6-dimethylphenyl)-4-nitro-benzamide. This reaction needs the reagent of cyclohexene, and the solvent of propan-2-ol. The yield is 91 %. This reaction should be taken for 8 hours. The other condition is heating.
-4-nitro-benzamide.png)
You can still convert the following datas into molecular structure:
1.SMILES: O=C(Nc1c(cccc1C)C)c2ccc([N+]([O-])=O)cc2
2.InChI: InChI=1/C15H14N2O3/c1-10-4-3-5-11(2)14(10)16-15(18)12-6-8-13(9-7-12)17(19)20/h3-9H,1-2H3,(H,16,18)
3.InChIKey: WBLNADQPUSRQIV-UHFFFAOYAU