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2-Coumaranone

Name: 2-Coumaranone
Brand: ALDRICH

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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Properties

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)

Description

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.

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This Item	193747	34490	109266
Sigma-Aldrich 124591 2-Coumaranone	Sigma-Aldrich 193747 Tryptamine	Sigma-Aldrich 34490 Dibutylamine	Sigma-Aldrich 109266 Aminoguanidine bicarbonate
description 97%	description ≥97%	description puriss., ≥99.0% (GC)	description 97%
assay 97%	assay ≥97%	assay ≥99.0% (GC)	assay 97%
Quality Level 100	Quality Level 100	Quality Level 200	Quality Level 100
solubility H₂O: soluble 3.8 g/L at 30 °C	solubility water: soluble 1 g/L at 20 °C	solubility water: soluble 3.8 g/L at 20 °C	solubility H₂O: soluble 2.7 g/L at 20 °C, H₂O: soluble 3.3 g/L at 30 °C
form powder	form -	form -	form -
bp 248-250 °C (lit.)	bp 137 °C/0.15 mmHg (lit.)	bp 159 °C (lit.)	bp -
mp 49-51 °C (lit.)	mp 113-116 °C (lit.)	mp −62 °C (lit.)	mp 170-172 °C (dec.) (lit.)

pictograms

GHS07

signalword

Warning

hcodes

H315,H317,H319

pcodes

P261 - P264 - P272 - P280 - P302 + P352 - P305 + P351 + P338

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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