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472670

Sigma-Aldrich

9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid

97%

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About This Item

Empirical Formula (Hill Notation):
C13H9F2NO4
CAS Number:
Molecular Weight:
281.21
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level

assay

97%

mp

320-322 °C (lit.)

functional group

carboxylic acid
fluoro
ketone

SMILES string

CC1COc2c(F)c(F)cc3C(=O)C(=CN1c23)C(O)=O

InChI

1S/C13H9F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19)

InChI key

NVKWWNNJFKZNJO-UHFFFAOYSA-N

Gene Information

human ... CSNK2A1(1457)

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1 of 4

This Item
GF10029596GF12106897GF37306267
form

foil

form

foil

form

foil

form

foil

manufacturer/tradename

Goodfellow 330-551-85

manufacturer/tradename

Goodfellow 100-295-96

manufacturer/tradename

Goodfellow 121-068-97

manufacturer/tradename

Goodfellow 373-062-67

assay

98.50%

assay

≥98.5%

assay

98.50%

assay

98.5%

resistivity

2.6548 μΩ-cm

resistivity

2.6548 μΩ-cm

resistivity

2.6548 μΩ-cm

resistivity

2.6548 μΩ-cm

density

2.7 g/mL at 25 °C (lit.)

density

2.7 g/mL at 25 °C (lit.)

density

2.7 g/mL at 25 °C (lit.)

density

2.7 g/mL at 25 °C (lit.)

mp

660.37 °C (lit.)

mp

660.37 °C (lit.)

mp

660.37 °C (lit.)

mp

660.37 °C (lit.)

General description

(S)-(-)-9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid may be used in the preparation of the following:
  • kynurenine aminotransferase II (KAT II) inhibitor, [(S)-(-)-9-(4-aminopiperazine-1-yl)-8-fluoro-3-methyl-6-oxo-2,3,5,6-tetrahydro-4H-1-oxa-3a-aza-phenalene-5-carboxylic acid][1]
  • fused-ring derivatives[2]
  • N-desmethyllevofloxacin[3]

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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