4-CHLORO-2-METHYL-6-NITROANILINE

The Benzenamine, 4-chloro-2-methyl-6-nitro-, with the CAS registry number of 62790-50-5, is also known as 4-Chloro-6-nitro-o-toluidine. It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds; Pharmacetical. This chemical's molecular formula is C₇H₇ClN₂O₂ and molecular weight is 186.6. What's more, its IUPAC name is 4-Chloro-2-methyl-6-nitroaniline. In addition, it should be stored in dry, cool, airtight place. It can not contact with oxidant, otherwise it would decompose.

Physical properties about Benzenamine, 4-chloro-2-methyl-6-nitro- are: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 3.2; (5)ACD/BCF (pH 5.5): 160.28; (6)ACD/BCF (pH 7.4): 160.28; (7)ACD/KOC (pH 5.5): 1317.83; (8)ACD/KOC (pH 7.4): 1317.83; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 46.75 cm³; (15)Molar Volume: 131.7 cm³; (16)Polarizability: 18.53×10^-24 cm³; (17)Surface Tension: 57 dyne/cm; (18)Density: 1.415 g/cm³; (19)Flash Point: 152.6 °C; (20)Enthalpy of Vaporization: 57.11 kJ/mol; (21)Boiling Point: 328.7 °C at 760 mmHg; (22)Melting Point: 126-132 °C; (23)Vapour Pressure: 0.000186 mmHg at 25 °C.

Preparation: this chemical is prepared by 2-Methyl-6-nitro-aniline at heating. The reaction needs reagents N-Chlorosuccinimide and 2-Propanol. The reaction time is 15 minutes. The yield is about 86 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 5-Chloro-7-nitro-1(2)H-indazole. This reaction needs reagents NaNO₂ and AcOH. The yield is about 72 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During 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(c(N)c(c1)C)[N+]([O-])=O
(2) InChI: InChI=1/C7H7ClN2O2/c1-4-2-5(8)3-6(7(4)9)10(11)12/h2-3H,9H2,1H3
(3) InChIKey: QDSCDFKGUAONPC-UHFFFAOYAS