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CAS No.: | 21901-40-6 |
---|---|
Name: | 2-Amino-5-nitro-4-picoline |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C6H7N3O2 |
Molecular Weight: | 153.14 |
Synonyms: | 4-Picoline,2-amino-5-nitro- (8CI);(4-Methyl-5-nitropyridin-2-yl)amine;2-Amino-4-methyl-5-nitropyridine;4-Methyl-5-nitro-2-aminopyridine;NSC 52452; |
EINECS: | -0 |
Density: | 1.354 g/cm3 |
Melting Point: | 223-225 °C(lit.) |
Boiling Point: | 351.87 °C at 760 mmHg |
Flash Point: | 166.605 °C |
Appearance: | orange to yellow-brown powder |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 36/37/38-20/21/22 |
Safety: | 26-37/39-36/37/39-22 |
PSA: | 84.73000 |
LogP: | 1.98480 |
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The 2-Amino-5-nitro-4-picoline, with the CAS registry number 21901-40-6, is also known as 4-Methyl-5-nitro-2-pyridinamine. It belongs to the product categories of compounds of Pyridine; Pyridine; Pyridines, Pyrimidines, Purines and Pteredines; Amines; Pyridines; Pyridines Derivates; C6; Heterocyclic Building Blocks; Amino-Pyridine Series. This chemical's molecular formula is C6H7N3O2 and molecular weight is 153.14. What's more, its IUPAC name is called 4-Methyl-5-nitropyridin-2-amine. It should be stored in a cool, dry and well-ventilated place.
Physical properties about 2-Amino-5-nitro-4-picoline are: (1)ACD/LogP: 0.872; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.69; (6)ACD/BCF (pH 7.4): 2.71; (7)ACD/KOC (pH 5.5): 70.45; (8)ACD/KOC (pH 7.4): 71.04; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 84.73 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 39.951 cm3; (15)Molar Volume: 113.054 cm3; (16) Polarizability: 15.838×10-24cm3; (17)Surface Tension: 64.50 dyne/cm; (18)Density: 1.355 g/cm3; (19)Flash Point: 166.605 °C; (20)Enthalpy of Vaporization: 59.662 kJ/mol; (21)Boiling Point: 351.87 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of 2-Amino-5-nitro-4-picoline: this chemical can be prepared by 4-Methyl-3-nitro-pyridine. This reaction needs reagent 4-amino-1,2,4-triazole and solvent dimethylsulfoxide at temperature of 20 °C. The reaction time is 5 hours. The yield is 61 %.
Uses of 2-Amino-5-nitro-4-picoline: it is used to produce other chemicals. For example, it can react with 3-Bromo-2-oxo-propionic acid ethyl ester to get 7-Methyl-6-nitro-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester. The reaction occurs with solvent ethanol and other condition of heating for 4 hours. The yield is 61.5 %.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system. It may cause damage to health by inhalation, in contacting with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should 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)c1cnc(N)cc1C
(2) InChI: InChI=1S/C6H7N3O2/c1-4-2-6(7)8-3-5(4)9(10)11/h2-3H,1H3,(H2,7,8)
(3) InChIKey: GRBBNZYMXKTQAI-UHFFFAOYSA-N