Ethyl coumarin-3-carbaoxylate

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Names

[ CAS No. ]:
1846-76-0

[ Name ]:
Ethyl coumarin-3-carbaoxylate

[Synonym ]:
1,2-Benzopyran-2-one-3-carboxylic acid ethyl ester
EINECS 208-518-0
Ethyl 3-coumarincarboxylate
ethyl 2-oxo-2H-1-benzopyran-3-carboxylate
ethyl 2-oxo-2H-1-benzopyrano-3-carboxylate
3-Ethoxycarbonylcoumarin
2-oxochromene-3-carboxylic acid ethyl ester
MFCD00016964
3-carboethoxycoumarin
2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester
Ethyl 2-oxo-2H-chromene-3-carboxylate
2-oxo-2H-1-benzopyran-3-carboxylic acid ethyl ester
Ethyl coumarin-3-carbaoxylate
Ethyl coumarin-3-carboxylate
Coumarin-3-carboxylic acid ethyl ester
3-Carbethoxycoumarin

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
378.0±30.0 °C at 760 mmHg

[ Melting Point ]:
92-94 °C(lit.)

[ Molecular Formula ]:
C12H10O4

[ Molecular Weight ]:
218.205

[ Flash Point ]:
195.6±23.0 °C

[ Exact Mass ]:
218.057907

[ PSA ]:
56.51000

[ LogP ]:
1.91

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.568

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ2501000
CHEMICAL NAME :
2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester
CAS REGISTRY NUMBER :
1846-76-0
BEILSTEIN REFERENCE NO. :
0200147
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H10-O4
MOLECULAR WEIGHT :
218.22
WISWESSER LINE NOTATION :
T66 BOVJ DVO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
130 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 75,1486,1955
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
42 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#09107

Safety Information

[ Hazard Codes ]:
Xi:Irritant;

[ Safety Phrases ]:
S24/25

[ WGK Germany ]:
3

[ RTECS ]:
DJ2501000

[ 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

  • 3-[1-(N-Methylcarbamoyloxyimino)ethyl]coumarin
  • Ethyl 6-[4-(Diphenylamino)phenyl]coumarin-3-carboxylate
  • ethyl 5-hydroxy-4-methyl-7-(3-methyl-2-octyl)coumarin-3-propionate
  • ETHYL 3-AMINO-4-HYDROXYBENZOATE
  • ethyl 3-naphthalen-1-yl-2-nitroprop-2-enoate
  • ethyl 3-naphthalen-2-yl-2-nitroprop-2-enoate
  • 3-(3-Fluoro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
  • 3-(5-Fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
  • 2-(2-Bromoethyl)-4-chloro-1-fluorobenzene
  • 2-Amino-1-[2-chloro-5-(trifluoromethyl)phenyl]ethan-1-one
  • 2-Amino-1-[4-chloro-3-(trifluoromethyl)phenyl]ethan-1-one
  • 1-Amino-4-(chloromethyl)-1H-pyrrole-2-carbonitrile hydrochloride
  • 2-Acetamido-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetic acid
  • 1,2,4-Oxadiazole-5-ethanamine, 3-(4-chloro-2-methylphenyl)-
  • 2-Chloro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)aniline
  • 2-(2-Bromophenyl)-4-methyl-1,3-oxazole
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