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CAS No.: | 17282-00-7 |
---|---|
Name: | 2-Amino-3-bromo-5-methylpyridine |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C6H7BrN2 |
Molecular Weight: | 187.039 |
Synonyms: | 5-Bromo-3-methyl-1H-pyridin-6-amine;2-Amino-3-bromo-5-picoline;2-Amino-5-methyl-3-bromo pyridine; |
EINECS: | -0 |
Density: | 1.593 g/cm3 |
Melting Point: | 73-76 °C(lit.) |
Boiling Point: | 252.348 °C at 760 mmHg |
Flash Point: | 106.417 °C |
Solubility: | Insoluble in water |
Appearance: | light brown solid |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 36/37/38-20/21/22 |
Safety: | 26-36-36/37/39 |
PSA: | 38.91000 |
LogP: | 2.31590 |
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The 2-Amino-3-bromo-5-methylpyridine, with the CAS registry number 17282-00-7, is also known as 6-Amino-5-bromo-3-picoline. It belongs to the product categories of Blocks; Pyridines; Pyridines, Pyrimidines, Purines and Pteredines; Pyridine Series; Pyridine; Bromopyridines; Halopyridines; C6Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Amino-Pyridine Series; Amines; Heterocycles. This chemical's molecular formula is C6H7BrN2 and molecular weight is 187.04. What's more, both its IUPAC name and systematic name are the same which is called 3-Bromo-5-methylpyridin-2-amine. It should be stored in a sealed, dry and well-ventilated place.
Physical properties about 2-Amino-3-bromo-5-methylpyridine are: (1)ACD/LogP: 2.154; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 24.10; (6)ACD/BCF (pH 7.4): 25.53; (7)ACD/KOC (pH 5.5): 333.98; (8)ACD/KOC (pH 7.4): 353.77; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 41.095 cm3; (15)Molar Volume: 117.397 cm3; (16)Polarizability: 16.291×10-24 cm3; (17)Surface Tension: 52.09 dyne/cm; (18)Density: 1.593 g/cm3; (19)Flash Point: 106.417 °C; (20)Enthalpy of Vaporization: 48.969 kJ/mol; (21)Boiling Point: 252.348 °C at 760 mmHg; (22)Vapour Pressure: 0.019 mmHg at 25 °C.
Preparation of 2-Amino-3-bromo-5-methylpyridine: this chemical can be prepared by 5-methyl-pyridin-2-ylamine. This reaction needs reagents HBr and H2O2 at temperature of 70 °C. The reaction time is 1 hour. The yield is 72 %.
Uses of 2-Amino-3-bromo-5-methylpyridine: (1) it is used as JNK and ERK kinase inhibitors; (2) it is used to produce other chemicals. For example, it can react with acetic acid anhydride to get 3-bromo-2-diacetylamino-5-methylpyridine. The reaction occurs with reagent AcOH and other condition of heating for 4 hours. The yield is 80 %.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. It is harmful by inhalation, in contact 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: Brc1cc(cnc1N)C
(2) InChI: InChI=1S/C6H7BrN2/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3,(H2,8,9)
(3) InChIKey: NDPKXEWDWTZBDG-UHFFFAOYSA-N