香豆呋喃基

Description

coumafuryl · CAS 117-52-2 · C17H14O5. UNII 7ELL4M4VS8. Melting Point: 124 °C.

Identification

CAS Registry Number	117-52-2
PubChem CID	54689800
Molecular formula	C17H14O5
IUPAC name	3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one
UNII (FDA)	7ELL4M4VS8

Computed Descriptors

Molecular Weight	298.29
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	298.08412354
Monoisotopic Mass	298.08412354
Topological Polar Surface Area	76.7
Heavy Atom Count	22
Formal Charge	0

Physical & Chemical Properties

Melting Point	124 °C

Physical description & handling notes

• White solid; [HSDB]
• White powder
• Crystals
• Solubility in water: 150 g/100 ml @ 20 °C /Sodium salt/
• Practically insoluble in water; readily soluble in acetone, methyl ethyl ketone, cyclohexanone, ether, dioxane, methylene chloride, dimethylformamide; moderately soluble in toluene, xylene, trichloroethylene, carbon tetrachloride; very slightly soluble in petroleum ether and mineral oils
• Very low at room temperature

GHS Hazard Classification

Reported hazard statements	H301, H372, H412

Documented Uses

• Used as anticoagulant rodenticide; [HSDB]
• Fumarin is a rodenticide. (L1252)
• Preparation: GB 734142 (1955 to Norddeutsche Affinerie and C. F. Spress & Sohn).

Synonyms

COUMAFURYL; 117-52-2; Ratafin; Krumkil; Tomarin; Lurat; Mouse blues; Kill-Ko Rat; Cumafuryl; Caswell No. 005; 3-(1-Furyl-3-acetylethyl)-4-hydroxycoumarin; 3-(alpha-Acetonylfurfuryl)-4-hydroxycoumarin; 7ELL4M4VS8; EPA Pesticide Chemical Code 086001; BRN 1395342; 4-(2-Furyl)-4-(4-hydroxy-3-coumarinyl)-2-butanone

Frequently Asked Questions

What are the CAS number and molecular formula of coumafuryl?

CAS 117-52-2; molecular formula C17H14O5; molecular weight — g/mol.

What other names is coumafuryl known by?

COUMAFURYL, 117-52-2, Ratafin, Krumkil, Tomarin, Lurat.

Is coumafuryl classified as hazardous?

Hazard statements reported: H301, H372, H412.

What are the key physical properties of coumafuryl?

Melting Point: 124 °C.

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.