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Pyridinium tribromide

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Name

Pyridinium tribromide

EINECS 254-446-8
CAS No. 39416-48-3 Density 2.9569 (rough estimate)
PSA 14.14000 LogP -0.80410
Solubility decomposes Melting Point 127-133 °C
Formula C5H6Br3N Boiling Point 115.3 °C at 760 mmHg
Molecular Weight 319.821 Flash Point 20 °C
Transport Information UN 3261 8/PG 2 Appearance red crystals
Safety 26-36/37/39-45-24/25-27 Risk Codes 37/38-34-36
Molecular Structure Molecular Structure of 39416-48-3 (Pyridinium tribromide) Hazard Symbols CorrosiveC, IrritantXi
Synonyms

Pyridinium perbromide;Hydrogen tribromide,compd. with pyridine (1:1);Pyridine Hydrobromide Perbromide;Pyridinium hydrobromide perbromide;

Article Data 12

Pyridinium tribromide Specification

The IUPAC name of Pyridinium tribromide is hydron; pyridine; tribromide. With the CAS registry number 39416-48-3 and EINECS 254-446-8, it is also named as Pyridinium bromide perbromide. The product's categories are Bromination; Halogenation; Pyridinium Compounds; Synthetic Organic Chemistry. It is red crystals which is soluble in acetic acid, methanol, ethanol, butanol and THF, insoluble in carbon tetrachloride, ethyl bromide, anhydrous ether, benzene, toluene, light petroleum or petroleum ether. Additionally, this chemical should be sealed in the container and stored at the temperature of 2-8°C.

The other characteristics of this product can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 0; (4)Exact Mass: 318.80299; (5)MonoIsotopic Mass: 316.805037; (6)Topological Polar Surface Area: 12.9; (7)Heavy Atom Count: 9; (8)Formal Charge: -2; (9)Complexity: 30.9; (10)Isotope Atom Count: 0; (11)Covalently-Bonded Unit Count: 5.

Preparation and Uses of Pyridinium tribromide: It can be obtained by the reaction of pyridine, hydrogen bromide and bromine. C6H5N+HBr+Br2→C6H5N+HBr-3 This chemical can be used as intermediate of ethyl norgestrienonum and as convenient brominating agent in organic synthesis.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. It is also irritating to eyes, respiratory system and skin. So people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After using it, take off immediately all contaminated clothing. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure. 
1. Smiles:c1ccccn1.[BrH-].[BrH-].[BrH-]
2. InChI:InChI=1/C5H5N.3BrH/c1-2-4-6-5-3-1;;;/h1-5H;3*1H/p-2

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