2-CHLORO-6-METHYL-4-NITROANILINE

The CAS register number of Benzenamine,2-chloro-6-methyl-4-nitro- is 69951-02-6. It also can be called as 6-chloro-2-methyl-4-nitrophenylamine and the IUPAC name about this chemical is 2-chloro-6-methyl-4-nitroaniline. The molecular formula about this chemical is C₇H₇ClN₂O₂ and the molecular weight is 186.6. It belongs to the Anilines, Aromatic Amines and Nitro Compounds.

Physical properties about Benzenamine,2-chloro-6-methyl-4-nitro- are: (1)ACD/LogP: 2.92; (2)ACD/LogD (pH 5.5): 2.92; (3)ACD/LogD (pH 7.4): 2.92; (4)ACD/BCF (pH 5.5): 97.15; (5)ACD/BCF (pH 7.4): 97.15; (6)ACD/KOC (pH 5.5): 920.93; (7)ACD/KOC (pH 7.4): 920.93; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 49.06Ų; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 46.75 cm³; (14)Molar Volume: 131.7 cm³; (15)Polarizability: 18.53x10^-24cm³; (16)Surface Tension: 57 dyne/cm; (17)Enthalpy of Vaporization: 58.86 kJ/mol; (18)Boiling Point: 344.6 °C at 760 mmHg; (19)Vapour Pressure: 6.52E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-4-nitro-aniline. This reaction will need reagent hydrogen peroxide and hydrochloric acid.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. 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)SMILES: Clc1cc(cc(c1N)C)[N+]([O-])=O
(2)InChI: InChI=1/C7H7ClN2O2/c1-4-2-5(10(11)12)3-6(8)7(4)9/h2-3H,9H2,1H3
(3)InChIKey: HVPVUAIKGOKEEE-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C7H7ClN2O2/c1-4-2-5(10(11)12)3-6(8)7(4)9/h2-3H,9H2,1H3
(5)Std. InChIKey: HVPVUAIKGOKEEE-UHFFFAOYSA-N