N-Methyl-2,4-dinitroaniline (2044-88-4)

The N-Methyl-2,4-dinitroaniline, with the CAS registry number 2044-88-4, is also known as N-(2,4-Dinitrophenyl)methanamine and (2,4-Dinitro-phenyl)-methyl-amine. Its EINECS registry number is 218-062-4. This chemical's molecular formula is C₇H₇N₃O₄ and molecular weight is 197.15. What's more, both its IUPAC name and systematic name are the same which is called N-Methyl-2,4-dinitroaniline.

Physical properties about this chemical are: (1) ACD/LogP: 2.56; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.56; (4) ACD/LogD (pH 7.4): 2.56; (5) ACD/BCF (pH 5.5): 52.2; (6) ACD/BCF (pH 7.4): 52.2; (7) ACD/KOC (pH 5.5): 590.34; (8) ACD/KOC (pH 7.4): 590.34; (9) #H bond acceptors: 7; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 94.88 Å²; (13) Index of Refraction: 1.66; (14) Molar Refractivity: 48.95 cm³; (15) Molar Volume: 132.5 cm³; (16) Surface Tension: 65.4 dyne/cm; (17) Density: 1.487 g/cm³; (18) Flash Point: 168.4 °C; (19) Enthalpy of Vaporization: 59.99 kJ/mol; (20) Boiling Point: 354.8 °C at 760 mmHg; (21) Vapour Pressure: 3.27E-05 mmHg at 25 °C.

Preparation of N-Methyl-2,4-dinitroaniline: this chemical is prepared by reaction of 1-Chloro-2,4-dinitro-benzene with Methylamine.



This reaction needs reagent Alcohol at temperature of 100 °C.

Uses of N-Methyl-2,4-dinitroaniline: it is used to produce other chemicals. For example, it is used to produce N¹-Methyl-4-nitro-benzene-1,2-diamine.



The reaction occurs with reagent Alcohol and Aqueous sodium hydrosulfide.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(NC)c([N+]([O-])=O)c1
(2) InChI: InChI=1/C7H7N3O4/c1-8-6-3-2-5(9(11)12)4-7(6)10(13)14/h2-4,8H,1H3
(3) InChIKey: IQEJEZOCXWJNKR-UHFFFAOYAR