(E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid

Modify Date: 2024-01-13 05:59:57

(E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid Structure
(E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid structure
Common Name (E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid
CAS Number 80937-24-2 Molecular Weight 221.16600
Density 1.435g/cm3 Boiling Point 437.4ºC at 760 mmHg
Molecular Formula C10H7NO5 Melting Point N/A
MSDS N/A Flash Point 193.3ºC

 Names

Name (2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.435g/cm3
Boiling Point 437.4ºC at 760 mmHg
Molecular Formula C10H7NO5
Molecular Weight 221.16600
Flash Point 193.3ºC
Exact Mass 221.03200
PSA 100.19000
LogP 1.94150
Index of Refraction 1.614

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EM9259000
CHEMICAL NAME :
2-Butenoic acid, 4-(2-nitrophenyl)-4-oxo-, (E)-
CAS REGISTRY NUMBER :
80937-24-2
LAST UPDATED :
199609
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H7-N-O5
MOLECULAR WEIGHT :
221.18

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 :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRXXBL French Demande Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2481118

 Synthetic Route

~79%

(E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid Structure

(E)-4-(2-Nitrop...

CAS#:80937-24-2

Literature: Chakor, Narayan; Dallavalle, Sabrina; Musso, Loana; Moretti, Maddalena Tetrahedron Letters, 2008 , vol. 49, # 34 p. 5056 - 5058

~42%

(E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid Structure

(E)-4-(2-Nitrop...

CAS#:80937-24-2

Literature: Bianchi, Mario; Butti, Alina; Christidis, Yani; Perronnet, Jacques; Barzaghi, Fernando; et al. European Journal of Medicinal Chemistry, 1988 , vol. 23, p. 45 - 52

~%

(E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid Structure

(E)-4-(2-Nitrop...

CAS#:80937-24-2

Literature: Steinbach; Becker Journal of the American Chemical Society, 1954 , vol. 76, p. 5808 Full Text View citing articles Show Details Sato; Ohta Bulletin of the Chemical Society of Japan, 1955 , vol. 28, p. 480

~%

(E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid Structure

(E)-4-(2-Nitrop...

CAS#:80937-24-2

Literature: Sato; Ohta Bulletin of the Chemical Society of Japan, 1955 , vol. 28, p. 480

 Synonyms

Hydroxydehydro Nifedipine Carboxylate