Coumarin-3-carboxylic acid

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Names

[ CAS No. ]:
531-81-7

[ Name ]:
Coumarin-3-carboxylic acid

[Synonym ]:
EINECS 208-518-0
2-oxochromene-3-carboxylic acid
Coumarin-3-Carboxylic Acid
MFCD00006852

Chemical & Physical Properties

[ 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)

MSDS

Click to get detail MSDS

Toxicological Information

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

Safety Information

[ 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

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2932209090

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

Related Compounds

  • coumarin-3-carboxylic acid amide
  • 7-aminocoumarin-3-carboxylic acid
  • 6-bromocoumarin-3-carboxylic acid
  • COUMARIN-3-CARBOXYLIC ACID CHLORIDE
  • 5-methoxycoumarin-3-carboxylic acid
  • 6-hydroxycoumarin-3-carboxylic acid
  • N-benzyl-4-(methylamino)-3-nitrobenzene-1-sulfonamide
  • 2-{4-[(aminooxy)methyl]-1H-1,2,3-triazol-1-yl}acetic acid
  • ethyl 2-{4-[(aminooxy)methyl]-1H-1,2,3-triazol-1-yl}acetate
  • O-({1-[(pyridin-4-yl)methyl]-1H-1,2,3-triazol-4-yl}methyl)hydroxylamine
  • 5-(1-methyl-1H-pyrazol-5-yl)-1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-amine
  • 5-(1-methyl-1H-pyrazol-5-yl)-1-(pent-4-en-1-yl)-1H-1,2,3-triazol-4-amine
  • 5-(1-methyl-1H-pyrazol-5-yl)-1-[(1,2,5-thiadiazol-3-yl)methyl]-1H-1,2,3-triazol-4-amine
  • 1-(2,2-dimethylbutyl)-5-(1-methyl-1H-pyrazol-5-yl)-1H-1,2,3-triazol-4-amine
  • 6,7-Dimethoxy-1,3-dimethyl-2-oxo-1,2-dihydroquinoline-4-carboxylic acid
  • 7-Methoxy-1,3-dimethyl-2-oxo-1,2-dihydroquinoline-4-carboxylic acid
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