4H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 6-NITRO-4-OXO-, ETHYL ESTER

Modify Date: 2024-01-29 17:32:21

4H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 6-NITRO-4-OXO-, ETHYL ESTER Structure
4H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 6-NITRO-4-OXO-, ETHYL ESTER structure
Common Name 4H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 6-NITRO-4-OXO-, ETHYL ESTER
CAS Number 30095-79-5 Molecular Weight 263.20300
Density 1.453g/cm3 Boiling Point 413.5ºC at 760mmHg
Molecular Formula C12H9NO6 Melting Point N/A
MSDS N/A Flash Point 191.2ºC

 Names

Name ethyl 6-nitro-4-oxochromene-2-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.453g/cm3
Boiling Point 413.5ºC at 760mmHg
Molecular Formula C12H9NO6
Molecular Weight 263.20300
Flash Point 191.2ºC
Exact Mass 263.04300
PSA 102.33000
LogP 2.40110
Index of Refraction 1.599

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ2473000
CHEMICAL NAME :
4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester
CAS REGISTRY NUMBER :
30095-79-5
BEILSTEIN REFERENCE NO. :
1292011
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H9-N-O6
MOLECULAR WEIGHT :
263.22

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

 Safety Information

HS Code 2918300090

 Synthetic Route

~90%

4H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 6-NITRO-4-OXO-, ETHYL ESTER Structure

4H-1-BENZOPYRAN...

CAS#:30095-79-5

Literature: Kanter, James; Mullins, John J.G.; Pandey, Anjali; Scarborough, Robert Patent: US2003/233002 A1, 2003 ; Location in patent: Page 16 ;

~92%

4H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 6-NITRO-4-OXO-, ETHYL ESTER Structure

4H-1-BENZOPYRAN...

CAS#:30095-79-5

Literature: Kanter, James; Mullins, John J.G.; Pandey, Anjali; Scarborough, Robert Patent: US2003/233002 A1, 2003 ; Location in patent: Page 15 ;

~%

4H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 6-NITRO-4-OXO-, ETHYL ESTER Structure

4H-1-BENZOPYRAN...

CAS#:30095-79-5

Literature: Velema, Willem A.; Van Der Toorn, Marco; Szymanski, Wiktor; Feringa, Ben L. Journal of Medicinal Chemistry, 2013 , vol. 56, # 11 p. 4456 - 4464

 Customs

HS Code 2918300090
Summary 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

 Synonyms

4H-1-Benzopyran-2-carboxylic acid,6-nitro-4-oxo-,ethyl ester
6-nitro-4-oxo-4H-chromene-2-carboxylic acid ethyl ester
ethyl 6-nitro-4-oxo-4H-1-benzopyran-2-carboxylate
6-Nitro-4-oxochromen-2-carbonsaeureethylester
EINECS 250-047-8
ethyl 6-nitro-4-oxo-4H-chromene-2-carboxylate
ethyl 6-nitrochromone-2-carboxylate
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