Coumarin-3-carboxylic acid
Suppliers
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
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
Customs
[ HS Code ]: 2932209090
[ Summary ]:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%