Coumarin-3-carboxylic acid

Modify Date: 2024-01-02 08:36:45

Coumarin-3-carboxylic acid structure	Common Name	Coumarin-3-carboxylic acid
	CAS Number	531-81-7	Molecular Weight	190.15200
	Density	1.493g/cm3	Boiling Point	388.6ºC at 760mmHg
	Molecular Formula	C₁₀H₆O₄	Melting Point	189-192 °C(lit.)
	MSDS	N/A	Flash Point	162.7ºC

Use of Coumarin-3-carboxylic acid

Coumarin-3-carboxylic acid (2- Oxochromene-3-carboxylic acid) is an important initial compound for the synthesis of coumarins which are well known natural products for their diverse biological activities. Lanthanide complexes of Coumarin-3-carboxylic acid exhibit antiproliferative activity towards K-562 cell line[1][2].

Name	Coumarin-3-carboxylic acid
Synonym	More Synonyms

Description	Coumarin-3-carboxylic acid (2- Oxochromene-3-carboxylic acid) is an important initial compound for the synthesis of coumarins which are well known natural products for their diverse biological activities. Lanthanide complexes of Coumarin-3-carboxylic acid exhibit antiproliferative activity towards K-562 cell line[1][2].
Related Catalog	Research Areas >> Cancer Signaling Pathways >> Others >> Others
References	[1]. Aimin Song, et al. A convenient synthesis of coumarin-3-carboxylic acids via Knoevenagel condensation of Meldrum's acid with ortho-hydroxyaryl aldehydes or ketones. Tetrahedron Letters. 2003 Feb;44(9): 1755-1758. [2]. Kostova I, et al. New Samarium(III), Gadolinium(III), and Dysprosium(III) Complexes of Coumarin-3-Carboxylic Acid as Antiproliferative Agents. Met Based Drugs. 2007;2007:15925.

Description

Related Catalog

Research Areas >> Cancer

Signaling Pathways >> Others >> Others

References

[1]. Aimin Song, et al. A convenient synthesis of coumarin-3-carboxylic acids via Knoevenagel condensation of Meldrum's acid with ortho-hydroxyaryl aldehydes or ketones. Tetrahedron Letters. 2003 Feb;44(9): 1755-1758.

[2]. Kostova I, et al. New Samarium(III), Gadolinium(III), and Dysprosium(III) Complexes of Coumarin-3-Carboxylic Acid as Antiproliferative Agents. Met Based Drugs. 2007;2007:15925.

Density	1.493g/cm3
Boiling Point	388.6ºC at 760mmHg
Melting Point	189-192 °C(lit.)
Molecular Formula	C₁₀H₆O₄
Molecular Weight	190.15200
Flash Point	162.7ºC
Exact Mass	190.02700
PSA	67.51000
LogP	1.49120
Water Solubility	13 g/L (37 ºC)

Coumarin-3-carboxylic acid MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DJ2490000

CHEMICAL NAME :: 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-

CAS REGISTRY NUMBER :: 531-81-7

BEILSTEIN REFERENCE NO. :: 0154276

LAST UPDATED :: 199709

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C10-H6-O4

MOLECULAR WEIGHT :: 190.16

WISWESSER LINE NOTATION :: T66 BOVJ DVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 90,260,1947

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 180 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02594

Hazard Codes	T:Toxic;
Risk Phrases	R25
Safety Phrases	S36/37/39-S45-S28A
RIDADR	UN 2811 6.1/PG 3
WGK Germany	3
RTECS	DJ2490000
Packaging Group	II
Hazard Class	6.1
HS Code	2932209090