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124591

2-Coumaranone

97%

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About This Item

Empirical Formula (Hill Notation):
C8H6O2
CAS Number:
553-86-6
Molecular Weight:
134.13
NACRES:
NA.22
PubChem Substance ID:
24847618
UNSPSC Code:
12352100
EC Number:
209-052-0
MDL number:
MFCD00005856
Assay:
97%
Form:
powder
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Quality Segment

100

assay

97%

form

powder

bp

248-250 °C (lit.)

mp

49-51 °C (lit.)

solubility

H2O: soluble 3.8 g/L at 30 °C

SMILES string

O=C1Cc2ccccc2O1

InChI

1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2

InChI key

ACZGCWSMSTYWDQ-UHFFFAOYSA-N

Gene Information

human ... CYP1A2(1544)

Application

2-Coumaranone has been used to study the effects of coumarins on 7,12-dimethyibenz(a)anthracene induced neoplasia of the rat mammary gland. It was employed as probe for detecting enzymes which hydrolyze 2-hydroxybenzofuran structures.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

257.0 °F

flash_point_c

125 °C

ppe

Eyeshields, Gloves, type N95 (US)

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