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| CAS No.: | 23056-40-8 |
|---|---|
| Name: | 2-Chloro-5-methyl-3-nitropyridine |
| Article Data: | 12 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H5ClN2O2 |
| Molecular Weight: | 172.571 |
| Synonyms: | 3-Picoline,6-chloro-5-nitro- (6CI,7CI,8CI);5-Methyl-2-chloro-3-nitropyridine; |
| EINECS: | -0 |
| Density: | 1.406 g/cm3 |
| Melting Point: | 46-50 °C |
| Boiling Point: | 290.8 °C at 760 mmHg |
| Flash Point: | 129.7 °C |
| Appearance: | Beige powder |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 36/37/38-21/22 |
| Safety: | 36/37/39-26-36 |
| Transport Information: | 2811 |
| PSA: | 58.71000 |
| LogP: | 2.47480 |
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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