2-Chloro-5-nitrotoluene

The IUPAC name of 2-Chloro-5-nitrotoluene is 1-chloro-2-methyl-4-nitrobenzene. With the CAS registry number 13290-74-9, it is also named as Benzene, 1-chloro-2-methyl-4-nitro-. The product's categories are Aromatic Hydrocarbons (substituted) & Derivatives; Halogen Toluene; Chlorine Compounds; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks. It is white to light yellow crystal powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 124.54; (6)ACD/BCF (pH 7.4): 124.54; (7)ACD/KOC (pH 5.5): 1100.11; (8)ACD/KOC (pH 7.4): 1100.11; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 42.51 cm³; (14)Molar Volume: 129.5 cm³; (15)Polarizability: 16.85×10^-24 cm³; (16)Surface Tension: 45.4 dyne/cm; (17)Enthalpy of Vaporization: 47.68 kJ/mol; (18)Vapour Pressure: 0.0212 mmHg at 25°C; (19)Exact Mass: 171.008706; (20)MonoIsotopic Mass: 171.008706; (21)Topological Polar Surface Area: 45.8; (22)Heavy Atom Count: 11; (23)Complexity: 157.

Uses of 2-Chloro-5-nitrotoluene: It is used for the synthesis of diazo sensitive material, etc. It also can react with 4-acetylamino-benzenesulfinic acid; sodium salt to get acetic acid-[4-(2-methyl-4-nitro-benzenesulfonyl)-anilide]. This reaction needs solvent dimethylsulfoxide at temperature of 95 °C. The reaction time is 6 hours. The yield is 43%.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. So people should not breathe dust. If you want to contact this product, you must wear suitable protective clothing and gloves. Avoid release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure. 
1. SMILES:Clc1ccc([N+]([O-])=O)cc1C
2. InChI:InChI=1/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3 
3. InChIKey:BGDCQZFFNFXYQC-UHFFFAOYAN