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4-BROMO-1H-PYRAZOLO[3,4-C]PYRIDINE

4-BROMO-1H-PYRAZOLO[3,4-C]PYRIDINE structure

CAS No:
1032943-43-3
Formula:
C6H4BrN3
Chemical Name:
4-BROMO-1H-PYRAZOLO[3,4-C]PYRIDINE
Synonyms:
4-BROMO-1H-PYRAZOLO[3,4-C]PYRIDINE;1H-Pyrazolo[3,4-c]pyridine, 4-broMo-;4-broMo-1H-pyrazolo[3;4-BroMo-1H-pyrazolo[3,4-c...

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4-BROMO-1H-PYRAZOLO[3,4-C]PYRIDINE Basic Attributes

Molecular Weight：

198.02006

Exact Mass：

196.958847

DSSTox ID：

DTXSID90677341

HScode：

2933990090

Characteristics

PSA：

41.6

XLogP3：

1.2

Density：

1.894±0.06 g/cm3(Predicted)

Boiling Point：

357.5±22.0 °C(Predicted)

Flash Point：

170.0±22.3 °C

Refractive Index：

1.746

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

2811

hazard class code：

safety instructions：

Marks：

Precautionary statement(s)：

P301 + P310

Hazard Statements：

H301

4-BROMO-1H-PYRAZOLO[3,4-C]PYRIDINE Use and Manufacturing

To a solution of 3-bromo-5-fluoroisonicotinaldehyde (5.0 g, 24.5 mmol, 1.0 eq) in DME (25.0 mL) was added Η2 Η220 (25.0 mL) and the reaction mixture was heated at 110 °C overnight. After the reaction was complete, the solvent was concentrated. The resulting residue was diluted by water, extracted by EA (100.0 mL X 3), washed by brine, dried over Na2S04, concentrated. The resulting residue was purified by column chromatography (PE: EA = 2: 1) to provide 4-bromo-lH-pyrazolo[3, 4-c]pyridine (1.5 g, 31.3percent) as a white solid. LCMS (M+H+) m/z calculated 198.1, found 198.2.

Computed Properties

Molecular Weight:198.02
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:196.95886
Monoisotopic Mass:196.95886
Topological Polar Surface Area:41.6
Heavy Atom Count:10
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-BROMO-1H-PYRAZOLO[3,4-C]PYRIDINE

CAS No.: 1032943-43-3

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Guide of 4-BROMO-1H-PYRAZOLO[3,4-C]PYRIDINE

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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4-BROMO-1H-PYRAZOLO[3,4-C]PYRIDINE

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