1,2-Dimethyl-3-(1-Methylethyl)-5-Nitrobenzene

The Benzene,1,2-dimethyl-3-(1-methylethyl)-5-nitro- is an organic compound with the formula C₁₁H₁₅NO₂. The systematic name of this chemical is 1-isopropyl-2,3-dimethyl-5-nitro-benzene. With the CAS registry number 96155-98-5, it is also named as 1,2-Dimethyl-3-(1-Methylethyl)-5-Nitrobenzene.

The other characteristics of Benzene,1,2-dimethyl-3-(1-methylethyl)-5-nitro- can be summarized as: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.116; (4)ACD/LogD (pH 7.4): 4.116; (5)ACD/BCF (pH 5.5): 790.541; (6)ACD/BCF (pH 7.4): 790.541; (7)ACD/KOC (pH 5.5): 4129.86; (8)ACD/KOC (pH 7.4): 4129.86; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 56.633 cm³; (15)Molar Volume: 183.898 cm³; (16)Polarizability: 22.451×10^-24 cm³; (17)Surface Tension: 36.849 dyne/cm; (18)Density: 1.051 g/cm³; (19)Flash Point: 117.841 °C; (20)Enthalpy of Vaporization: 50.394 kJ/mol; (21)Boiling Point: 285.931 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25°C.

Uses of Benzene,1,2-dimethyl-3-(1-methylethyl)-5-nitro-: It can be used to produce 3-isopropyl-4,5-dimethylaniline. This reaction needs reagent hydrazine and catalytic agent Raney Ni. The yield is 35%.

 

People can use the following data to convert to the molecule structure.
1. SMILES:Cc1cc(cc(c1C)C(C)C)[N+](=O)[O-]
2. InChI:InChI=1/C11H15NO2/c1-7(2)11-6-10(12(13)14)5-8(3)9(11)4/h5-7H,1-4H3 
3. InChIKey:LWXYRCYAGNMAMJ-UHFFFAOYAA
4. Std. InChI:InChI=1S/C11H15NO2/c1-7(2)11-6-10(12(13)14)5-8(3)9(11)4/h5-7H,1-4H3 
5. Std. InChIKey:LWXYRCYAGNMAMJ-UHFFFAOYSA-N