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| CAS No.: | 5832-44-0 |
|---|---|
| Name: | 4-Methyl-3-nitropyridine |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H6N2O2 |
| Molecular Weight: | 138.126 |
| Synonyms: | 4-Picoline,3-nitro- (6CI,7CI,8CI);3-Nitro-4-picoline;pyridine, 4-methyl-3-nitro-;4-Methyl-3-nitropyridin;4-Methyl-3-nitropyridine;3-Nitro-4-methylpyridine; |
| EINECS: | 628-685-7 |
| Density: | 1.246 g/cm3 |
| Melting Point: | 24-28 °C |
| Boiling Point: | 234.9 °C at 760 mmHg |
| Flash Point: | 95.9 °C |
| Appearance: | Deliquescent cryst |
| Hazard Symbols: |
 Xn;  T;  Xi
|
| Risk Codes: | 22-37/38-41-36/37/38 |
| Safety: | 26-39-36 |
| Transport Information: | UN 2810 |
| PSA: | 58.71000 |
| LogP: | 1.82140 |
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Specification
The IUPAC name of this chemical is 4-Methyl-3-nitropyridine acid. With the CAS registry number 5832-44-0, it is also named as Pyridine,4-methyl-3-nitro-. It belongs to the classes of Nitro; Pyridine series; Pyridine; C6; Heterocyclic Building Blocks; Pyridines. In addition, the formula is C6H6N2O2 and the molecular weight is 138.12404.
Physical properties about this chemical are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 3.54; (6)ACD/BCF (pH 7.4): 3.54; (7)ACD/KOC (pH 5.5): 86; (8)ACD/KOC (pH 7.4): 86.02; (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: 1.558; (14)Molar Refractivity: 35.71 cm3; (15)Molar Volume: 110.7 cm3; (16)Polarizability: 14.15 ×10-24cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.246 g/cm3; (19)Flash Point: 95.9 °C; (20)Enthalpy of Vaporization: 45.26 kJ/mol; (21)Boiling Point: 234.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0786 mmHg at 25°C.
Preparation of 4-Methyl-3-nitropyridine: it can be prepared by 4-methyl-pyridine. The reaction needs reagent N2O5 and solvent liquid sulphur dioxide. The yield is about 54% with reaction temperature of -30 °C.
Uses of 4-Methyl-3-nitropyridine: it can be uesd to get 4-methyl-pyridin-3-ylamine. The reaction needs reagent H2,catalyst 5 percent Pd/C and solvent methanol. The reaction time is 5 hours with reaction temperature of 20 °C. The yield is about 97%.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and irritating to respiratory system and skin. It has risk of serious damage to the eyes. In addition, it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. 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: O=[N+]([O-])c1c(ccnc1)C
(2)InChI: InChI=1/C6H6N2O2/c1-5-2-3-7-4-6(5)8(9)10/h2-4H,1H3
(3)InChIKey: JLNRJMGYBKMDGI-UHFFFAOYAC