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2-Chloro-5-methyl-3-nitropyridine

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Name

2-Chloro-5-methyl-3-nitropyridine

EINECS -0
CAS No. 23056-40-8 Density 1.406 g/cm3
PSA 58.71000 LogP 2.47480
Solubility N/A Melting Point 46-50 °C
Formula C6H5ClN2O2 Boiling Point 290.8 °C at 760 mmHg
Molecular Weight 172.571 Flash Point 129.7 °C
Transport Information 2811 Appearance Beige powder
Safety 36/37/39-26-36 Risk Codes 36/37/38-21/22
Molecular Structure Molecular Structure of 23056-40-8 (2-Chloro-5-methyl-3-nitropyridine) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

3-Picoline,6-chloro-5-nitro- (6CI,7CI,8CI);5-Methyl-2-chloro-3-nitropyridine;

Article Data 12

2-Chloro-5-methyl-3-nitropyridine Specification

The IUPAC name of this chemical is 2-chloro-5-methyl-3-nitropyridine. With the CAS registry number 23056-40-8, it is also named as 2-Chloro-3-nitro-5-picoline. The product's categories are Blocks; Nitro Compounds; Pyridines; Pyridine; Chloropyridines; Halopyridines. It is beige powder which is hygroscopic. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of 2-Chloro-5-methyl-3-nitropyridine can be summarized as: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 58.71 Å2; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 40.6 cm3; (9)Molar Volume: 122.7 cm3; (10)Polarizability: 16.09×10-24 cm3; (11)Surface Tension: 52.5 dyne/cm; (12)Enthalpy of Vaporization: 50.89 kJ/mol; (13)Vapour Pressure: 0.00353 mmHg at 25°C; (14)Exact Mass: 172.003955; (15)MonoIsotopic Mass: 172.003955; (16)Topological Polar Surface Area: 58.7; (17)Heavy Atom Count: 11; (18)Complexity: 159.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=[N+]([O-])c1cc(cnc1Cl)C
2. InChI:InChI=1/C6H5ClN2O2/c1-4-2-5(9(10)11)6(7)8-3-4/h2-3H,1H3 
3. InChIKey:LUAJUWOJEFFNFE-UHFFFAOYAM
4. Std. InChI:InChI=1S/C6H5ClN2O2/c1-4-2-5(9(10)11)6(7)8-3-4/h2-3H,1H3
5. Std. InChIKey:LUAJUWOJEFFNFE-UHFFFAOYSA-N

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