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6945-68-2

Basic Information
CAS No.: 6945-68-2
Name: 2-Amino-5-bromo-3-nitropyridine
Article Data: 18
Molecular Structure:
Molecular Structure of 6945-68-2 (2-Amino-5-bromo-3-nitropyridine)
Formula: C5H4BrN3O2
Molecular Weight: 218.01
Synonyms: Pyridine,2-amino-5-bromo-3-nitro- (6CI,7CI,8CI);5-Bromo-3-nitropyridin-2-ylamine;5-Bromo-3-nitropyridine-2-amine;NSC 52200;5-bromo-3-nitropyridin-2-amine;2-Amino-5-bromo-3-nitropyridine;2-Amino-3-nitro-5-bromopyridine;
EINECS: -0
Density: 1.929 g/cm3
Melting Point: 205-208 °C(lit.)
Boiling Point: 302.9 °C at 760 mmHg
Flash Point: 137 °C
Appearance: yellow-brown crystalline powder
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 36/37/38-20/21/22
Safety: 26-37/39-36/37/39-22
PSA: 84.73000
LogP: 2.43890
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Specification

The 2-Amino-5-bromo-3-nitropyridine is an organic compound with the formula C5H4BrN3O2. The IUPAC name of this chemical is 5-bromo-3-nitropyridin-2-amine. With the CAS registry number 6945-68-2, it is also named as 2-Pyridinamine, 5-bromo-3-nitro-. The product's categories are compounds of Pyridine; Pyridine; Pyridines, Pyrimidines, Purines and Pteredines; Pyridine Series; Pyridines; Bromopyridines; Halopyridines; Amines; C5Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Amino-pyridine Series. Besides, it is a yellow-brown crystalline powder.

Physical properties about 2-Amino-5-bromo-3-nitropyridine are: (1)ACD/LogP: 2.79; (2)ACD/LogD (pH 5.5): 2.79; (3)ACD/LogD (pH 7.4): 2.79; (4)ACD/BCF (pH 5.5): 77.74; (5)ACD/BCF (pH 7.4): 77.74; (6)ACD/KOC (pH 5.5): 785.08; (7)ACD/KOC (pH 7.4): 785.09; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 61.95 Å2; (12)Index of Refraction: 1.682; (13)Molar Refractivity: 42.81 cm3; (14)Molar Volume: 112.9 cm3; (15)Polarizability: 16.97×10-24cm3; (16)Surface Tension: 75.7 dyne/cm; (17)Density: 1.929 g/cm3; (18)Flash Point: 137 °C; (19)Enthalpy of Vaporization: 54.31 kJ/mol; (20)Boiling Point: 302.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000964 mmHg at 25°C.

Uses of 2-Amino-5-bromo-3-nitropyridine: it can be used to produce 5-bromo-pyridine-2,3-diamine. It will need reagent SnCl2 and concentrated aqueous HCl.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection and do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(Br)cnc1N
(2)InChI: InChI=1/C5H4BrN3O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H,(H2,7,8)
(3)InChIKey: QOOCOFOGYRQPPN-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C5H4BrN3O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H,(H2,7,8)
(5)Std. InChIKey: QOOCOFOGYRQPPN-UHFFFAOYSA-N