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| CAS No.: | 21203-68-9 |
|---|---|
| Name: | 2-Methyl-5-nitropyridine |
| Article Data: | 35 |
| Molecular Structure: | |
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| Formula: | C6H6N2O2 |
| Molecular Weight: | 138.126 |
| Synonyms: | 2-Picoline,5-nitro- (6CI,8CI);5-Nitro-2-picoline; |
| EINECS: | -0 |
| Density: | 1.247 g/cm3 |
| Melting Point: | 112 °C |
| Boiling Point: | 237.099 °C at 760 mmHg |
| Flash Point: | 97.195 °C |
| Solubility: | Slightly soluble in water. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 58.71000 |
| LogP: | 1.82140 |
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Specification
The 2-Methyl-5-nitropyridine is also the IUPAC name of this chemical. With cas registry number of 21203-68-9, this chemical belongs to the classes of nitro; pyridines; blocks; pyridine; pyridines, pyrimidines, purines and pteredines. Its systematic name is called 2-methyl-5-nitro-pyridine. It is also known as 5-Nitro-2-picoline.
Physical properties about this chemical are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.987; (4)ACD/LogD (pH 7.4): 0.988; (5)ACD/BCF (pH 5.5): 3.315; (6)ACD/BCF (pH 7.4): 3.316; (7)ACD/KOC (pH 5.5): 82.059; (8)ACD/KOC (pH 7.4): 82.08; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 35.715 cm3; (14)Molar Volume: 110.774 cm3 ; (15)Surface Tension: 49.99 dyne/cm; (16)Density: 1.247 g/cm3; (17)Flash Point: 97.195 °C; (18)Enthalpy of Vaporization: 45.469 kJ/mol; (19)Boiling Point: 237.099 °C at 760 mmHg; (20)Vapour Pressure: 0.07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing, gloves and eye/face protection if you are using it. In case of 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: Cc1ccc(cn1)N(=O)=O;
(2)InChI: InChI=1/C6H6N2O2/c1-5-2-3-6(4-7-5)8(9)10/h2-4H,1H3;
(3)InChIKey: USZINSZJSVMICC-UHFFFAOYAO