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189219

Coumachlor

Name: Coumachlor
Brand: ALDRICH

98%

Synonym(s):

(±)-3-(α-Acetonyl-p-chlorobenzyl)-4-hydroxycoumarin, p-Chlorowarfarin

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About This Item

Empirical Formula (Hill Notation):

C₁₉H₁₅ClO₄

CAS Number:

81-82-3

Molecular Weight:

342.77

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24851370

EC Number:

201-378-1

Beilstein/REAXYS Number:

6819431

MDL number:

MFCD00012094

Assay:

98%

Form:

powder

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Properties

assay

98%

form

powder

mp

168-170 °C (lit.)

solubility

acetone: soluble, alcohol: soluble, benzene: slightly soluble, chloroform: soluble, diethyl ether: slightly soluble, water: insoluble

functional group

chloro, ester, ketone

SMILES string

CC(=O)CC(c1ccc(Cl)cc1)C2=C(O)c3ccccc3OC2=O

InChI

1S/C19H15ClO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3

InChI key

DEKWZWCFHUABHE-UHFFFAOYSA-N

Description

General description

Coumachlor is an anticoagulant rodenticide. It forms complex with zirconium.

Application

Coumachlor was used as internal standard for simultaneous enantioseparation of (+/-)-warfarin by chiral capillary electrochromatography with electrospray ionization mass spectrometry.

pictograms

GHS06,GHS08

signalword

Danger

hcodes

H301,H310,H373,H412

pcodes

P262 - P264 - P273 - P280 - P301 + P310 - P302 + P352 + P310

Hazard Classifications

Acute Tox. 1 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 3 - STOT RE 2

Storage Class

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

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Information

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Combination of chiral capillary electrochromatography with electrospray ionization mass spectrometry: method development and assay of warfarin enantiomers in human plasma.

Jack Zheng et al.

Analytical chemistry, 75(22), 6295-6305 (2003-11-18)

The hyphenation of chiral capillary electrochromatography (CEC) with electrospray ionization mass spectrometry (ESI-MS) is very challenging but promising due to the fact that it combines sensitivity with high specificity and selectivity. In this work, CEC capillaries packed with (3R,4S)-Whelk-O1 chiral

New validated multiresidue analysis of six 4-hydroxy-coumarin anticoagulant rodenticides in hen eggs.

Jakob Avi Shimshoni et al.

Journal of veterinary diagnostic investigation : official publication of the American Association of Veterinary Laboratory Diagnosticians, Inc, 25(6), 736-743 (2013-10-02)

Anticoagulant rodenticides are frequently a cause of poisoning of domestic animals, wildlife, and human beings. A toxicosis in 6,000 laying hens caused by the malicious addition of unknown amounts of coumatetralyl bait as well as the insecticides aldicarb, methomyl, and

Separation and determination of warfarin enantiomers in human plasma using a novel polymeric surfactant for micellar electrokinetic chromatography-mass spectrometry.

Jingguo Hou et al.

Journal of chromatography. A, 1159(1-2), 208-216 (2007-05-15)

Warfarin is a widely used oral anticoagulant which is mostly administrated as a racemic mixture containing equal amount of R- and S-enantiomers. The two enantiomers are shown to exhibit significant differences in pharmacokinetics and pharmacodynamics. In this study, a new

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Global Trade Item Number

SKU	GTIN
189219-1G	04061826705001