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206860-49-3

Basic Information
CAS No.: 206860-49-3
Name: 2-Bromopyridine N-oxide hydrobromide
Molecular Structure:
Molecular Structure of 206860-49-3 (2-Bromopyridine N-oxide hydrobromide)
Formula: C5H4BrNO.HBr
Molecular Weight: 254.91
Synonyms: Pyridine,2-bromo-, 1-oxide, hydrobromide (9CI);
EINECS: 145-896-5
Melting Point: 145-147 °C
Boiling Point: 336.2 °C at 760 mmHg
Flash Point: 157.1 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 25.46000
LogP: 2.83570
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Specification

The 2-Bromopyridine N-oxide hydrobromide, with the CAS registry number 206860-49-3, has the systematic name of 2-bromo-1-oxido-pyridin-1-ium hydrobromide. It belongs to the following product categories: Heterocyclic Compounds; C5Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyridines. And the molecular formula of the chemical is C5H4BrNO.HBr.

The characteristics of this chemical are as followings: (1)H-Bond Donor 0; (2)H-Bond Acceptor 1; (3)Rotatable Bond Count 0; (4)Exact Mass 254.871742; (5)MonoIsotopic Mass 252.873789; (6)Topological Polar Surface Area 25.5; (7)Heavy Atom Count 9; (8)Formal Charge 0; (9)Complexity 78.8; (10)Isotope Atom Count 0; (11)Defined Atom StereoCenter Count 0; (12)Undefined Atom StereoCenter Count 0; (13)Defined Bond StereoCenter Count 0; (14)Undefined Bond StereoCenter Count 0; (15)Covalently-Bonded Unit Count 2.
 
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc[n+](c(c1)Br)[O-].Br
(2)InChI: InChI=1/C5H4BrNO.BrH/c6-5-3-1-2-4-7(5)8;/h1-4H;1H
(3)InChIKey: DKUDDLJCRIFJLN-UHFFFAOYAP