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573675-25-9

Basic Information
CAS No.: 573675-25-9
Name: 5-Bromo-3-nitropyridine-2-carbonitrile
Article Data: 11
Molecular Structure:
Molecular Structure of 573675-25-9 (5-Bromo-3-nitropyridine-2-carbonitrile)
Formula: C6H2BrN3O2
Molecular Weight: 228.005
Synonyms: 5-bromo-3-nitropicolinonitrile;5-Bromo-2-cyano-3-nitropyridine;
EINECS: -0
Density: 1.92 g/cm3
Melting Point: 101-106 °C
Boiling Point: 348.9 °C at 760 mmHg
Flash Point: 164.8 °C
Appearance: yellow to light yellow crystals
Hazard Symbols: ToxicT,IrritantXi
Risk Codes: 20/21-25-37/38-41
Safety: 26-36/37/39-45
Transport Information: UN 2811 6.1/PG 3
PSA: 82.50000
LogP: 2.14718
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Chemistry

Molecule structure of 5-Bromo-2-cyano-3-nitropyridine (CAS NO.573675-25-9) :

IUPAC Name: 5-bromo-3-nitropyridine-2-carbonitrile 
Molecular Weight: 228.00298 g/mol
Molecular Formula: C6H2BrN3O2 
Density: 1.92 g/cm3 
Melting Point: 101-106 °C
Boiling Point: 348.9 °C at 760 mmHg 
Flash Point: 164.8 °C
Appreance: yellow to light yellow crystals
Molar Volume: 118.1 cm3
Polarizability: 16.99 10-24cm3
Surface Tension: 82.9 dyne/cm 
Enthalpy of Vaporization: 59.34 kJ/mol
Vapour Pressure: 4.87E-05 mmHg at 25 °C
XLogP3-AA: 1.4
H-Bond Acceptor: 4 
Exact Mass: 226.933039
MonoIsotopic Mass: 226.933039
Topological Polar Surface Area: 79.8
Heavy Atom Count: 12
Complexity: 231
Canonical SMILES: C1=C(C(=NC=C1Br)C#N)[N+](=O)[O-]
InChI: InChI=1S/C6H2BrN3O2/c7-4-1-6(10(11)12)5(2-8)9-3-4/h1,3H
InChIKey: OBVYONPVHIOJJZ-UHFFFAOYSA-N
Product Categories of 5-Bromo-2-cyano-3-nitropyridine (CAS NO.573675-25-9) : Pyridines, Pyrimidines, Purines and Pteredines; Pyridine series; Pyridine; Pyridines

Safety Profile

Hazard Codes: ToxicT, IrritantXi
Risk Statements: 20/21-25-37/38-41
R20/21: Harmful by inhalation and in contact with skin
R25: Toxic if swallowed 
R37/38: Irritating to respiratory system and skin
R41: Risk of serious damage to the eyes
Safety Statements: 26-36/37/39-45 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible)
RIDADR: UN 2811 6.1/PG 3
Hazard Note: Toxic

Specification

 5-Bromo-2-cyano-3-nitropyridine (CAS NO.573675-25-9) is also called 5-Bromo-3-nitro-2-cyanopyridine ; 5-Bromo-3-nitropyridine-2-carbonitrile ; 5-Bromo-3-nitro-2-cynopyridine ; 2-Cyano-5-bromo-3-nitropyridine .