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5527-76-4

5527-76-4 structure
5527-76-4 structure

Name ethyl 5-methoxy-4-oxochromene-2-carboxylate
Synonyms Ethyl 5-methoxy-4-oxo-4H-1-benzopyran-2-carboxylate
5-methoxy-4-oxo-4H-chromene-2-carboxylic acid ethyl ester
ethyl 5-methoxy-4-oxo-4H-chromene-2-carboxylate
4H-1-Benzopyran-2-carboxylic acid,5-methoxy-4-oxo-,ethyl ester
ethyl 5-methoxy-4-oxo-4H-chromen-2-carboxylate
2-ethyloxy-5-methoxychromone
Density 1.284g/cm3
Boiling Point 382.9ºC at 760 mmHg
Molecular Formula C13H12O5
Molecular Weight 248.23100
Flash Point 213.2ºC
Exact Mass 248.06800
PSA 65.74000
LogP 1.97830
Index of Refraction 1.555

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ2392000
CHEMICAL NAME :
4H-1-Benzopyran-2-carboxylic acid, 5-methoxy-4-oxo-, ethyl ester
CAS REGISTRY NUMBER :
5527-76-4
BEILSTEIN REFERENCE NO. :
1319702
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H12-O5
MOLECULAR WEIGHT :
248.25

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 15,865,1972
HS Code 2918990090

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5527-76-4 structure

5527-76-4

Literature: MERCK PATENT GMBH Patent: WO2006/94601 A1, 2006 ; Location in patent: Page/Page column 62 ;

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5527-76-4 structure

5527-76-4

Literature: Hadjeri, Mohamed; Barbier, Magali; Ronot, Xavier; Mariotte, Anne-Marie; Boumendjel, Ahcene; Boutonnat, Jean Journal of Medicinal Chemistry, 2003 , vol. 46, # 11 p. 2125 - 2131
HS Code 2918990090
Summary 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%