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2-Amino-5-bromopyridine

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Name

2-Amino-5-bromopyridine

EINECS 214-019-9
CAS No. 1072-97-5 Density 1.71 g/cm3
Solubility Melting Point 135-138 °C
Formula C5H5BrN2 Boiling Point 230.9 °C at 760 mmHg
Molecular Weight 173.0106 Flash Point 93.4 °C
Transport Information UN 2811 6.1/PG 3 Appearance Light yellow crystal
Safety 26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 1072-97-5 (2-Amino-5-bromopyridine) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

5-Bromo-2-pyridylamine;5-bromopyridin-2-amine;5-bromo-1H-pyridin-2-amine;2-amino-5-bromothiazolo[5,4-b]pyridine;2-Amino-5-Bromo Pyridine;2-amino-5-bromopyridin;sell: 2-amino-5-bromopyridine;

 

2-Amino-5-bromopyridine Specification

The IUPAC name of 2-Amino-5-bromopyridine is 5-bromopyridin-2-amine. With the CAS registry number 1072-97-5 and EINECS 214-019-9, it is also named as 2-Pyridinamine, 5-bromo-. The product's categories are Compounds of Pyridine; Fine Chemical & Intermediates;Amines; Blocks; Bromides; Pyridines; Pyridine; Pyridine Derivative; Pyridines, Pyrimidines, Purines and Pteredines; Organic Acids; Bromopyridines; Halopyridines; Heterocyclic Building Blocks; Amino-pyridine Series; Organohalides. It is light yellow crystal which is stable under normal temperature and pressure. 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: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.98; (5)ACD/BCF (pH 5.5): 16.6; (6)ACD/BCF (pH 7.4): 18.92; (7)ACD/KOC (pH 5.5): 250.42; (8)ACD/KOC (pH 7.4): 285.41; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.636; (13)Molar Refractivity: 36.27 cm3; (14)Molar Volume: 101.1 cm3; (15)Polarizability: 14.37×10-24 cm3; (16)Surface Tension: 56.9 dyne/cm; (17)Enthalpy of Vaporization: 46.75 kJ/mol; (18)Vapour Pressure: 0.0643 mmHg at 25°C; (19)Tautomer Count: 2; (20)Exact Mass: 171.963611; (21)MonoIsotopic Mass: 171.963611; (22)Topological Polar Surface Area: 38.9; (23)Heavy Atom Count: 8; (24)Complexity: 76.8.

Preparation of 2-Amino-5-bromopyridine: It can be obtained by pyridin-2-ylamine. This reaction needs reagent NBS and solvent acetonitrile at temperature of 20 °C. The reaction time is 17 hours. The yield is 93%.

Uses of 2-Amino-5-bromopyridine: It is used to produce drugs and other fine chemicals. It also can react with benzotriazol-1-yl-methanol to get benzotriazol-1-ylmethyl-(5-bromo-pyridin-2-yl)-amine. This reaction needs solvent ethanol at ambient temperature. The reaction time is 5 hours. The yield is 99%.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also 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.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc1cnc(N)cc1
2. InChI:InChI=1/C5H5BrN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8) 
3. InChIKey:WGOLHUGPTDEKCF-UHFFFAOYAB

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