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531-81-7

531-81-7 structure
531-81-7 structure
  • Name: Coumarin-3-carboxylic acid
  • Chemical Name: Coumarin-3-carboxylic acid
  • CAS Number: 531-81-7
  • Molecular Formula: C10H6O4
  • Molecular Weight: 190.15200
  • Catalog: Chemical reagent Organic reagent Aromatic acid
  • Create Date: 2018-04-21 08:00:00
  • Modify Date: 2024-01-02 08:36:45
  • 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
Synonyms EINECS 208-518-0
2-oxochromene-3-carboxylic acid
Coumarin-3-Carboxylic Acid
MFCD00006852
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
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)

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
HS Code 2932209090
Summary 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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