2,6-DICHLORO-3-NITROTOLUENE

The Benzene,1,3-dichloro-2-methyl-4-nitro-, with CAS registry number 29682-46-0, belongs to the following product categories: (1)Aromatic Hydrocarbons (substituted) & Derivatives; (2)Halogen toluene; (3)Nitro Compounds; (4)Nitrogen Compounds; (5)Organic Building Blocks. It has the systematic name of 1,3-dichloro-2-methyl-4-nitrobenzene. This chemical is a kind of light yellow to light green solid.

Physical properties of Benzene,1,3-dichloro-2-methyl-4-nitro-: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 250.55; (6)ACD/BCF (pH 7.4): 250.55; (7)ACD/KOC (pH 5.5): 1814.41; (8)ACD/KOC (pH 7.4): 1814.41; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 47.41 cm³; (15)Molar Volume: 141.4 cm³; (16)Polarizability: 18.79×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Enthalpy of Vaporization: 51.21 kJ/mol; (19)Vapour Pressure: 0.00296 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,6-dichloro-toluene. This reaction will need reagents concentrated sulfuric acid, nitric acid.

Uses of p-Chloropropiophenone: it can be used to produce 2,4-dichloro-3-methyl-aniline. This reaction will need reagents tin, aqueous hydrochloric acid.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1,3-dichloro-2-methyl-4-nitro- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Clc1ccc([N+]([O-])=O)c(Cl)c1C
(2)InChI: InChI=1/C7H5Cl2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3
(3)InChIKey: WBNZUUIFTPNYRN-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H5Cl2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3
(5)Std. InChIKey: WBNZUUIFTPNYRN-UHFFFAOYSA-N