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CAS No.: | 42753-71-9 |
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Name: | 2-Amino-5-bromo-6-methylpyridine |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C6H7BrN2 |
Molecular Weight: | 187.039 |
Synonyms: | 2-Amino-6-methyl-5-bromopyridine;3-Bromo-2-methylpyridin-6-amine;5-Bromo-6-methyl-2-aminopyridine;5-Bromo-6-methylpyridin-2-amine;6-Amino-3-bromo-2-methylpyridine;6-Amino-3-bromo-2-picoline; |
EINECS: | 255-927-5 |
Density: | 1.593 g/cm3 |
Melting Point: | 79-84 °C(lit.) |
Boiling Point: | 234.3 °C at 760 mmHg |
Flash Point: | 95.5 °C |
Appearance: | Light yellow crystal |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-26/37/39 |
PSA: | 38.91000 |
LogP: | 2.31590 |
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The IUPAC name of 6-Amino-3-bromo-2-methylpyridine is 5-bromo-6-methylpyridin-2-amine. With the CAS registry number 42753-71-9, it is also named as 2-Pyridinamine, 5-bromo-6-methyl. The product's categories are compounds of pyridine; Bromides; Pyridine; Amines and Anilines; Heterocycles; Pyridines, Pyrimidines, Purines and Pteredines; Amines; Bromopyridines; Halopyridines; Halogenated Heterocycles; Heterocyclic Building Blocks; Amino-pyridine series. It is light yellow crystal which is hygroscopic. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 35.32; (6)ACD/BCF (pH 7.4): 42.3; (7)ACD/KOC (pH 5.5): 423.81; (8)ACD/KOC (pH 7.4): 507.5; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0 ; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 41.09 cm3; (14)Molar Volume: 117.3 cm3; (15)Polarizability: 16.29×10-24 cm3; (16)Surface Tension: 52 dyne/cm; (17)Enthalpy of Vaporization: 47.1 kJ/mol; (18)Vapour Pressure: 0.0534 mmHg at 25°C; (19)Tautomer Count: 5; (20)Exact Mass: 185.979261; (21)MonoIsotopic Mass: 185.979261; (22)Topological Polar Surface Area: 38.9; (23)Heavy Atom Count: 9; (24)Complexity: 97.1.
Preparation of 6-Amino-3-bromo-2-methylpyridine: It can be obtained by 6-methyl-pyridin-2-ylamine. This reaction which also produce 3,5-dibromo-6-methyl-[2]pyridylamine needs reagent Br2 and solvent acetic acid at temperature of 20 °C. The reaction time is 1 hours. The yield is 5 %.
Uses of 6-Amino-3-bromo-2-methylpyridine: It reacts with hydrogen cyanide; copper(1+) salt to get 2-amino-5-cyano-6-methylpyridine. This reaction needs solvent dimethylformamide by heating. The reaction time is 4.0 hours. The yield is 37 %.
When you are using this chemical, please be cautious about it as the following:
It is 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:Brc1c(nc(N)cc1)C
2. InChI:InChI=1/C6H7BrN2/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)
3. InChIKey:SEOZHXRTVJPQPZ-UHFFFAOYAH