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A4571

Sigma-Aldrich

3-(α-Acetonylbenzyl)-4-hydroxycoumarin sodium salt

≥98%

Synonym(s):

4-Hydroxy-3-(3-oxo-1-phenylbutyl)coumarin

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About This Item

Linear Formula:
C19H15O4Na
CAS Number:
129-06-6
Molecular Weight:
330.31
MDL number:
MFCD00083223
UNSPSC Code:
12352100
PubChem Substance ID:
57653851
NACRES:
NA.22

Quality Level

200

Assay

≥98%

form

powder

impurities

water, may contain traces
~8% Isopropanol

SMILES string

[Na].CC(=O)CC(c1ccccc1)C2=C(O)c3ccccc3OC2=O

InChI

1S/C19H16O4.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1

InChI key

KYITYFHKDODNCQ-UHFFFAOYSA-M

Gene Information

human ... VKORC1(79001)

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Related Categories

Pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

Signal Word

Danger

Hazard Statements

H300,H360,H412

Hazard Classifications

Acute Tox. 2 Oral - Aquatic Chronic 3 - Repr. 1B

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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