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4,5-Dimethyl-2-nitroaniline

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Name

4,5-Dimethyl-2-nitroaniline

EINECS 230-211-5
CAS No. 6972-71-0 Density 1.22 g/cm3
PSA 71.84000 LogP 2.89820
Solubility N/A Melting Point 139-141 °C(lit.)
Formula C8H10N2O2 Boiling Point 335.7 °C at 760 mmHg
Molecular Weight 166.18 Flash Point 156.8 °C
Transport Information UN2811 Appearance brown crystalline powder
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 6972-71-0 (4,5-DIMETHYL-2-NITROANILINE) Hazard Symbols IrritantXn,Xi
Synonyms

3,4-Xylidine,6-nitro- (6CI,7CI,8CI);2-Nitro-4,5-dimethylaniline;3,4-Dimethyl-6-nitroaniline;4,5-Dimethyl-2-nitroaniline;4,5-Dimethyl-2-nitrobenzenamine;6-Nitro-3,4-dimethylaniline;NSC 62010;

Article Data 21

4,5-Dimethyl-2-nitroaniline Specification

The cas register number of 4,5-Dimethyl-2-nitroaniline is 6972-71-0. It also can be called as Benzenamine,4,5-dimethyl-2-nitro- and the IUPAC Name about this chemical is 4,5-dimethyl-2-nitroaniline. It belongs to the following product categories, such as Amines, C8, Nitrogen Compounds and so on.

Physical properties about 4,5-Dimethyl-2-nitroaniline are: (1)ACD/LogP: 2.75; (2)ACD/LogD (pH 5.5): 2.75; (3)ACD/LogD (pH 7.4): 2.75; (4)ACD/BCF (pH 5.5): 72.46; (5)ACD/BCF (pH 7.4): 72.46; (6)ACD/KOC (pH 5.5): 746.58; (7)ACD/KOC (pH 7.4): 746.59; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 49.06Å2; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 46.68 cm3; (14)Molar Volume: 136.1 cm3; (15)Polarizability: 18.5x10-24cm3; (16)Surface Tension: 51 dyne/cm; (17)Enthalpy of Vaporization: 57.88 kJ/mol; (18)Vapour Pressure: 0.000118 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid-(4,5-dimethyl-2-nitro-anilide). This reaction will need reagent methanol. sodium methylate.

Uses of 4,5-Dimethyl-2-nitroaniline: it can be used to produce 1,2-dimethyl-4-nitro-5-nitroso-benzene at Ambient temperature. This reaction will need reagent H2SO5. The yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is tirritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1C)[N+](=O)[O-])N
(2)InChI: InChI=1S/C8H10N2O2/c1-5-3-7(9)8(10(11)12)4-6(5)2/h3-4H,9H2,1-2H3
(3)InChIKey: PINGKGKKUSYUAW-UHFFFAOYSA-N

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