ChemicalBook--->CAS DataBase List--->81-82-3

81-82-3

81-82-3 Structure

81-82-3 Structure
IdentificationMore
[Name]

COUMACHLOR
[CAS]

81-82-3
[Synonyms]

3-[1-(4-CHLOROPHENYL)-3-OXOBUTYL]-4-HYDROXYCOUMARIN
3-(α-acetonyl-4-chlorobenzyl)-4-hydroxycoumarin
3-(ALPHA-ACETONYL-4-CHLOROBENZYL)-4-HYDROXYCOUMARIN
(+/-)-3-(ALPHA-ACETONYL-P-CHLOROBENZYL)-4-HYDROXYCOUMARIN
COUMACHLOR
DL-3-(ALPHA-ACETONYL-4'-CHLOROBENZYL)-4-HYDROXYCOUMARIN
FAMARIN
P-CHLOROWARFARIN
3-(1-(4-chloorfenyl)-3-oxo-butyl)-4-hydroxy-cumarine
3-(1-(4-chlorophenyl)-3-oxobutyl)-4-hydroxy-2h-1-benzopyran-2-on
3-(1-(4-chlorophenyl)-3-oxo-butyl)-4-hydroxy-coumarine
3-(1-(4-chlor-phenyl)-3-oxo-butyl)-4-hydroxy-cumarin
3-(1-(4-cloro-fenil)-3-oxo-butil)-4-idrossicumarina
3-(1-acetyl-2-(p-chlorophenyl)ethyl)-4-hydroxycoumarin
3-(alpha-(p-chlorphenyl)-beta-acetylaethyl)-4-hydroxycumarin
3-(alpha-acetonyl-p-chlorobenzyl)-4-hydroxy-coumari
3-(alpha-p-chlorophenyl-beta-acetylethyl)-4-hydroxycoumarin
4-hydroxy-3-(1-(4-chlorophenyl)-3-oxobutyl)-2h-1-benzopyran-2-one
coumachlore
cumachloor
[EINECS(EC#)]

201-378-1
[Molecular Formula]

C19H15ClO4
[MDL Number]

MFCD00012094
[Molecular Weight]

342.77
[MOL File]

81-82-3.mol
Chemical PropertiesBack Directory
[Melting point ]

168-170 °C (lit.)
[Boiling point ]

543.1±50.0 °C(Predicted)
[density ]

1.2972 (estimate)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

acetone: soluble
[form ]

powder
[pka]

4.50±1.00(Predicted)
[color ]

light yellow
[Merck ]

13,2581
[BRN ]

6819431
[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
[InChIKey]

DEKWZWCFHUABHE-UHFFFAOYSA-N
[SMILES]

CC(=O)CC(c1ccc(Cl)cc1)C2=C(O)c3ccccc3OC2=O
[CAS DataBase Reference]

81-82-3(CAS DataBase Reference)
[EPA Substance Registry System]

Coumachlor (81-82-3)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R48/22:Harmful: danger of serious damage to health by prolonged exposure if swallowed .
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S37:Wear suitable gloves .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 2811 6.1/PG 1
[WGK Germany ]

2
[RTECS ]

GN4830000
[HazardClass ]

6.1(a)
[PackingGroup ]

II
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 1 Dermal
Acute Tox. 3 Oral
Aquatic Chronic 3
STOT RE 2
[Hazardous Substances Data]

81-82-3(Hazardous Substances Data)
[Toxicity]

MLD in dog, swine (mg/kg): <5, <5 orally (Wanntorp)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

coumachlor(81-82-3).msds
Hazard InformationBack Directory
[Description]

Coumachlor is a first generation rodenticide which is now largely obsolete. There are many gaps in the available data, however, it has a low aqueous solubility and is not volatile. It is highly toxic to birds and aquatic invertebrates. It also has a high oral toxicity to mammals.
[Chemical Properties]

White to Off-White Solid
[Uses]

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

An internal standard in the analysis of the rodenticide Warfarin.
[Uses]

Rodenticide.
[Definition]

ChEBI: Coumachlor is a hydroxycoumarin.
[Production Methods]

Coumachlor is commercially produced through a multi-step organic synthesis process. The key reaction involves the condensation of 4-hydroxycoumarin with 4-chlorobenzylacetone under controlled conditions to form the final compound: 3-[1-(4-chlorophenyl)-3-oxobutyl]-2-hydroxychromen-4-one. This synthesis typically takes place in the presence of a base and a solvent such as ethanol or acetic acid, followed by purification steps including crystallisation and drying.
[General Description]

Coumachlor is an anticoagulant rodenticide. It forms complex with zirconium.
[Mechanism of action]

1st generation anticoagulant, blocks formation of prothrombin, inhibits blood coagulation causing death by internal haemorrhage
[Pesticide Type]

Rodenticide
Spectrum DetailBack Directory
[Spectrum Detail]

COUMACHLOR(81-82-3)IR
COUMACHLOR(81-82-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

81-82-3(sigmaaldrich)
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