双香豆素

Description

Dicumarol · CAS 66-76-2 · C19H12O6. UNII 7QID3E7BG7. Melting Point: 290; Melting Point: 287-293 °C; Melting Point: 290 °C.

Identification

CAS Registry Number	66-76-2
PubChem CID	54676038
Molecular formula	C19H12O6
IUPAC name	4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one
UNII (FDA)	7QID3E7BG7

Computed Descriptors

Molecular Weight	336.3
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	336.06338810
Monoisotopic Mass	336.06338810
Topological Polar Surface Area	93.1
Heavy Atom Count	25
Formal Charge	0

Physical & Chemical Properties

Melting Point	290
Melting Point	287-293 °C
Melting Point	290 °C
Solubility	128
Solubility	6.62e-02 g/L
LogP	2.07
LogP	3.1
LogP	1.83

Physical description & handling notes

• White solid with a mild pleasant odor; [HSDB]
• Solid
• White or creamy white, crystalline powder
• Minute crystals
• NEEDLES
• Very small crystals from cyclohexanone

GHS Hazard Classification

Reported hazard statements	H302, H372, H411, H301, H371, H373

Documented Uses

• Used as rodenticide and therapeutic anticoagulant; Discontinued as a medication; [HSDB]
• The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies discontinued drug products. Dicumarol is included on this list.
• Dicoumarol is a mycotoxin of combined plant and fungal origin. It is a derivative of coumarin, a substance made by plants which is transformed in mouldy feeds by a number of species of fungi into active dicoumarol. Dicoumarol is an anticoagulant that is used along with heparin for the treatment of deep venous thrombosis, as well as in biochemical experiments as an inhibitor of reductases. (L1960)
• Originally isolated from spoiled sweet clover (improperly cured Melilotus hay) ... now prepared synthetically by the action of formaldehyde on 4-hydroxy-coumarin (obtained as the Na derivative by the action of sodium metal on methyl acetylsalicylate) ... .
• 2H-1-Benzopyran-2-one, 3,3'-methylenebis[4-hydroxy-: ACTIVE
• ADVANTAGE AS RAT POISON IS THAT TREATED ANIMALS DO NOT DEVELOP "BAIT SHYNESS". AS RODENTICIDE, DICOUMAROL IS NOWADAYS SUPERSEDED BY WARFARIN.

Synonyms

dicumarol; dicoumarol; 66-76-2; Bishydroxycoumarin; melitoxin; Antitrombosin; Baracoumin; Dicumarine; Acadyl; Acavyl; Dicuman; Dicumol; Dicoumal; Dufalone; Kumoran; Temparin

Frequently Asked Questions

What are the CAS number and molecular formula of Dicumarol?

CAS 66-76-2; molecular formula C19H12O6; molecular weight — g/mol.

What other names is Dicumarol known by?

dicumarol, dicoumarol, 66-76-2, Bishydroxycoumarin, melitoxin, Antitrombosin.

Is Dicumarol classified as hazardous?

Hazard statements reported: H302, H372, H411, H301, H371.

What are the key physical properties of Dicumarol?

Melting Point: 290; Melting Point: 287-293 °C; Melting Point: 290 °C; Solubility: 128.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.