ChemicalBook--->CAS DataBase List--->936940-82-8

936940-82-8

936940-82-8 Structure

936940-82-8 Structure
IdentificationBack Directory
[Name]

CHEMBRDG-BB 4003862
[CAS]

936940-82-8
[Synonyms]

CHEMBRDG-BB 4003862
1-(3-fluorophenyl)pyrazole-4-carbaldehyde
1-(3-Fluoro-phenyl)-1H-pyrazole-4-carbaldehyde
1-(3-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde
1H-Pyrazole-4-carboxaldehyde, 1-(3-fluorophenyl)-
1-(3-Fluorophenyl)-1H-pyrazole-4-carbaldehyde AldrichCPR
1-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde(SALTDATA: FREE)
[Molecular Formula]

C10H7FN2O
[MDL Number]

MFCD05864517
[MOL File]

936940-82-8.mol
[Molecular Weight]

190.17
Questions And AnswerBack Directory
[Synthesis]

Synthetic Route of CHEMBRDG-BB 4003862

To a 100 mL round-bottom flask, add 1.00 mmol of 1-(3-fluorophenyl)pyrazole, 1.50 mmol of hexamethylenetetramine, and 5 mL of trifluoroacetic acid. Heat the reaction under reflux for 12 hours with stirring. At the end of the reaction, neutralize the resulting solution with 10% NaHCO3 solution in an ice bath, and filter the precipitate under vacuum. If necessary, purify the crude product by column chromatography to obtain 1 g of CHEMBRDG-BB 4003862.

[Application]

1-(3-fluorophenyl)pyrazole-4-carboxaldehyde is an organic intermediate that can be prepared from 1-(3-fluorophenyl)pyrazole via a one-step reaction. 1-(3-fluorophenyl)pyrazole-4-carboxaldehyde can be used to prepare bromine domain protein inhibitors.
Chemical PropertiesBack Directory
[Boiling point ]

316.9±22.0 °C(Predicted)
[density ]

1.24±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

-2.95±0.12(Predicted)
[CAS DataBase Reference]

936940-82-8
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
[WGK Germany ]

3
[HS Code ]

2933199090
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