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Merck
CN

543624

6-Fluorochromone-3-carboxaldehyde

97%

Synonym(s):

6-Fluoro-3-formylchromone

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About This Item

Empirical Formula (Hill Notation):
C10H5FO3
CAS Number:
Molecular Weight:
192.14
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
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Quality Level

assay

97%

mp

155-160 °C (lit.)

functional group

aldehyde, fluoro, ketone

SMILES string

Fc1ccc2OC=C(C=O)C(=O)c2c1

InChI

1S/C10H5FO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H

InChI key

VHRMOTNEBIKURN-UHFFFAOYSA-N

Gene Information

human ... PTPN1(5770)

Application

6-Fluorochromone-3-carboxaldehyde may be used in the synthesis of the following fluorine-containing chromone-tetrazoles:
  • 3-((1-cyclohexyl-1H-tetrazol-5-yl)(phenylamino)methyl)-6-fluoro-4H-chromen-4-one
  • 3-((1-cyclohexyl-1H-tetrazol-5-yl)((3,4,5-trimethoxyphenyl)amino)methyl)-6-fluoro-4H-chrome-4-one
  • 3-((1-(tert-butyl)-1H-tetrazol-5-yl)(phenylamino)methyl)-6-fluoro-4H-chromen-4-one
  • 3-((1-(tert-butyl)-1H-tetrazol-5-yl)((4-chlorophenyl)amino)methyl)-6-fluoro-4H-chromen-4-one


Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Pedro A Cano et al.
Molecules (Basel, Switzerland), 20(7), 12436-12449 (2015-07-18)
In vitro studies to fourteen previously synthesized chromone-tetrazoles and four novel fluorine-containing analogs were conducted against pathogenic protozoan (Entamoeba histolytica), pathogenic bacteria (Pseudomonas aeruginosa, and Staphylococcus aureus), and human fungal pathogens (Sporothrix schenckii, Candida albicans, and Candida tropicalis), which have



Global Trade Item Number

SKUGTIN
543624-1G04061832567532