N-METHYL-2-NITROANILINE

The Benzenamine,N-methyl-2-nitro- is an organic compound with the formula C₇H₈N₂O₂. The IUPAC name of this chemical is N-methyl-2-nitroaniline. With the CAS registry number 612-28-2, it is also named as 2-(Methylamino)nitrobenzene. The product's categories are Aromatics Compounds; Aromatics; Amines; C7; Nitrogen Compounds. Besides, it should be stored in a closed cool and dry place.

Physical properties about Benzenamine,N-methyl-2-nitro- are: (1)ACD/LogP: 2.18; (2)ACD/LogD (pH 5.5): 2.18; (3)ACD/LogD (pH 7.4): 2.18; (4)ACD/BCF (pH 5.5): 26.72; (5)ACD/BCF (pH 7.4): 26.72; (6)ACD/KOC (pH 5.5): 365.53; (7)ACD/KOC (pH 7.4): 365.53; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 49.06 Å²; (12)Index of Refraction: 1.619; (13)Molar Refractivity: 42.4 cm³; (14)Molar Volume: 120.7 cm³; (15)Polarizability: 16.81×10^-24cm³; (16)Surface Tension: 50.3 dyne/cm; (17)Density: 1.26 g/cm³; (18)Flash Point: 121.9 °C; (19)Enthalpy of Vaporization: 51.65 kJ/mol; (20)Boiling Point: 277.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0044 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-chloro-2-nitro-benzene and methylamine. This reaction will need reagent1,8-diazabicyclo[5.4.0]undec-7-ene. The reaction time is 60 min with reaction temperature of 80 °C. The yield is about 90%.

Uses of Benzenamine,N-methyl-2-nitro-: it can be used to produce N-methyl-benzene-1,2-diamine. It will need reagent Sn, conc. HCl.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. Besides, this chemical is danger of cumulative effects. When you are using it, wear suitable protective clothing and gloves. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccccc1NC
(2)InChI: InChI=1/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3
(3)InChIKey: KFBOUJZFFJDYTA-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3
(5)Std. InChIKey: KFBOUJZFFJDYTA-UHFFFAOYSA-N