Ethyl 3-(4-nitrophenyl)-3-oxopropanoate

Names

[ CAS No. ]:
838-57-3

[ Name ]:
Ethyl 3-(4-nitrophenyl)-3-oxopropanoate

[Synonym ]:
MFCD00007357
EINECS 212-656-7
Benzenepropanoic acid, 4-nitro-β-oxo-, ethyl ester
Ethyl 3-(4-nitrophenyl)-3-oxopropanoate

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
344.7±17.0 °C at 760 mmHg

[ Melting Point ]:
67-71 °C

[ Molecular Formula ]:
C₁₁H₁₁NO₅

[ Molecular Weight ]:
237.209

[ Flash Point ]:
149.6±22.9 °C

[ Exact Mass ]:
237.063721

[ PSA ]:
89.19000

[ LogP ]:
1.63

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.542

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AJ1073500

CHEMICAL NAME :: Acetic acid, (p-nitrobenzoyl)-, ethyl ester

CAS REGISTRY NUMBER :: 838-57-3

BEILSTEIN REFERENCE NO. :: 1124763

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C11-H11-N-O5

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 :: 8620 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(1),79,1986

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
36/37/38

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ RTECS ]:
AJ1073500

[ HS Code ]:
2918300090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

EDA
4-Nitrobenzaldehyde
Ethyl 4-nitrobenzoate
ethyl acetate
4-Nitroacetophenone
Ethyl carbonate
Potassium monoethyl malonate
9-Methylfluorene-9-carbonyl chloride
1-Bromo-4-nitrobenzene
Ethyl acetoacetate

DownStream

3-chloro-3-(4-nitrophenyl)prop-2-enal
4-(3-pyridin-4-yltriazol-4-yl)aniline
1-Methyl-3-(4-nitrophenyl)-1H-pyrazol-5-ol
4-Nitroacetophenone
Ethyl 4-nitrobenzoate
p-nitrophenacyl bromide
3-ethyl-5-(4-nitrophenyl)pyrazolidine-4-carboxylate
CAY10550
Benzenebutanoic acid,4-nitro-g-oxo-
1-(4-nitrophenyl)propane-1,3-diol

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%

Related Compounds

methyl 3-(4-nitrophenyl)-3-oxopropanoate
ethyl 3-[(4-nitrophenyl)sulfonylamino]-3-oxopropanoate
ethyl 3-(4-nitrophenyl)-3-oxo-2-(phenyl-3-iodanylidene)propanoate
ethyl 2-bromo-3-(4-nitrophenyl)-3-oxopropanoate
ethyl 2-chloro-3-(4-nitrophenyl)-3-oxopropanoate
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-3-(4-nitrophenyl)-3-oxopropanoate
4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
4-(1-Aminoethyl)-2-methylbenzonitrile
(4-Methyl-tetrahydro-furan-2-yl)-methanol
N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
3-(3-Fluorophenyl)-8-((4-fluorophenyl)sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
tert-Butyl-DL-alanine