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23056-33-9

Basic Information
CAS No.: 23056-33-9
Name: 2-Chloro-4-methyl-5-nitropyridine
Article Data: 14
Molecular Structure:
Molecular Structure of 23056-33-9 (2-Chloro-4-methyl-5-nitropyridine)
Formula: C6H5ClN2O2
Molecular Weight: 172.571
Synonyms: 2-Chloro-4-methyl-5-nitropyridine;Pyridine, 2-chloro-4-methyl-5-nitro;2-Chloro-5-nitro-4-picoline2;
Density: 1.406 g/cm3
Melting Point: 37-39 °C(lit.)
Boiling Point: 237.1 °C at 760 mmHg
Flash Point: 120.9 °C
Appearance: light cream to light brown crystalline powder
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 36/37/38-20/21/22
Safety: 26-36/37/39
PSA: 58.71000
LogP: 2.47480
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Specification

2-Chloro-4-methyl-5-nitropyridine is an organic compound with the formula C6H5ClN2O2, and its systematic name is the same with the product name. With the CAS registry number 23056-33-9, it is also named as Pyridine, 2-chloro-4-methyl-5-nitro-. It belongs to the product categories of Compounds of Pyridine; Pyridine; Pyridines; Pyridine Derivertives; Chloropyridines; Halopyridines; Boronic Acid; C6 Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Chlorinated heterocyclic series; Pyridine series. In addition, the molecular weight is 172.57. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from strong oxides.

Physical properties of 2-Chloro-4-methyl-5-nitropyridine are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.21; (6)ACD/BCF (pH 7.4): 10.21; (7)ACD/KOC (pH 5.5): 183.59; (8)ACD/KOC (pH 7.4): 183.59; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 40.61 cm3; (15)Molar Volume: 122.725 cm3; (16)Polarizability: 16.099×10-24cm3; (17)Surface Tension: 52.54 dyne/cm; (18)Density: 1.406 g/cm3; (19)Flash Point: 120.939 °C; (20)Enthalpy of Vaporization: 45.467 kJ/mol; (21)Boiling Point: 237.078 °C at 760 mmHg; (22)Vapour Pressure: 0.07 mmHg at 25°C.

Uses of 2-Chloro-4-methyl-5-nitropyridine: it can be used to produce 4-methyl-2-(1-methyl-1H-imidazol-2-ylsulfanyl)-5-nitro-pyridine by heating. It will need solvent ethanol with the reaction time of 1 hour. The yield is about 90%.

2-Chloro-4-methyl-5-nitropyridine can be used to produce 4-methyl-2-(1-methyl-1H-imidazol-2-ylsulfanyl)-5-nitro-pyridine by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncc([N+]([O-])=O)c(c1)C
(2)Std. InChI: InChI=1S/C6H5ClN2O2/c1-4-2-6(7)8-3-5(4)9(10)11/h2-3H,1H3
(3)Std. InChIKey: HWZUMEVIIGNXGM-UHFFFAOYSA-N