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5-BROMO-4,6-DIMETHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE

5-BROMO-4,6-DIMETHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE structure

CAS No:
23819-87-6
Formula:
C8H7BrN2O
Chemical Name:
5-BROMO-4,6-DIMETHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
Synonyms:
5-BROMO-4,6-DIMETHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE;5-BROMO-4,6-DIMETHYL-2-HYDROXYPYRIDINE-3-CARBONITRILE;5-Bromo-3-cyano-2-hydroxy-4,6-dimethylpyridine, 98%;5-Bromo-1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinecarbonitrile;5-Bromo-2-hydroxy-4,6-dimethylpyridine-3-carbonitrile;5-BroMo-4,6-diMethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

White solid

5-BROMO-4,6-DIMETHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE Basic Attributes

Molecular Weight：

227.06

Exact Mass：

225.974167

DSSTox ID：

DTXSID00353285

HScode：

29333990

Characteristics

PSA：

52.9

XLogP3：

0.8

Density：

1.6±0.1 g/cm3

Melting Point：

263-266°C

Boiling Point：

301℃

Flash Point：

136℃

Refractive Index：

1.589

Vapor Pressure：

0.00109mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN3439

hazard class code：

20/21/22-36/37/38

safety instructions：

9-26-36/37

5-BROMO-4,6-DIMETHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE Use and Manufacturing

To a solution of 4, 6-dimethyl-2-oxo-l, 2-dihydropyridine-3-carbonitrile (35 g, 236 mmol) in Acetic Acid (200ml) was added bromine (41.5 g, 260 mmol). The reaction mixture stirred for about 30 min at ambient temperature. The reaction mixture was then concentrated to dryness under reduced pressure. The resulting resin precipitated from aqueous EtOH to obtain 5-bromo-4, 6-dimethyl-2-oxo-l , 2- dihydropyridine-3-carbonitrile (70 g, 95percent). LCMS (Table 1, Method c) RT= 1.63 min.; MS m/z = 226, 228 (M+H).

Computed Properties

Molecular Weight:227.06
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:225.97418
Monoisotopic Mass:225.97418
Topological Polar Surface Area:52.9
Heavy Atom Count:12
Complexity:357
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-BROMO-4,6-DIMETHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

5-BROMO-4,6-DIMETHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE

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