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

Basic Information

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CAS Number

838-57-3

Molecular Formula

C11H11NO5

Molecular Weight

237.21 g/mol

Basic Physical Properties

Melting Point

71-73 °C

Boiling Point

379.74°C (rough estimate)

Density

1.3350 (rough estimate)

Flash Point

149.6 °C

Refractive Index

1.5300 (estimate)

SMILES

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CCOC(=O)CC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H11NO5/c1-2-17-11(14)7-10(13)8-3-5-9(6-4-8)12(15)16/h3-6H,2,7H2,1H3

InChIKey

NGRXSVFCLHVGKU-UHFFFAOYSA-N

LogP

2.25390

Complexity

302

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

ETHYL p-NITROBENZOYLACETATE
Benzenepropanoic acid, 4-nitro-beta-oxo-, ethyl ester
MFCD00007357
AMY202100127
UNII-E9KY7LH3TA
FT-0626099
ethyl 3-(4-nitrophenyl)-3-oxopropanoate
CS-0022845
NSC 62134
NS00038334
SCHEMBL276340
Oprea1_250969
ACETIC ACID, (p-NITROBENZOYL)-, ETHYL ESTER
EINECS 212-656-7
Ethyl 4-nitrobenzoylacetate 98%
SY078786
ethyl-4-Nitrobenzoylacetate
A840669
3-(4-nitrophenyl)-3-oxopropionic acid ethyl ester
Benzenepropanoic acid, 4-nitro-.beta.-oxo-, ethyl ester
4-Nitro-beta-oxo-benzenepropanoic acid ethyl ester
DTXSID9061201
AC-17238
Ethyl 4-nitro-beta-oxobenzenepropanoate
Ethyl 3-(4-Nitrophenyl)-3-oxopropionate
F0787-0006
(4-Nitrobenzoyl)acetic acid ethyl ester
Maybridge1_002011
F16294
Ethyl (4-nitrobenzoyl)acetate
838-57-3

MDL Number

MFCD00007357

Customs Code

2918300090

FAQ

What is Ethyl 3-(4-nitrophenyl)-3-oxopropanoate (CAS: 838-57-3)?

Ethyl 3-(4-nitrophenyl)-3-oxopropanoate (CAS: 838-57-3) is an organic compound with the molecular formula C9H8N2O5. It is a colorless to white crystalline solid with a pungent odor. This compound is used in the pharmaceutical and chemical industries for synthesizing various chemical intermediates and drugs.

What are the main uses of Ethyl 3-(4-nitrophenyl)-3-oxopropanoate (CAS: 838-57-3)?

Ethyl 3-(4-nitrophenyl)-3-oxopropanoate (CAS: 838-57-3) is primarily used as a key intermediate in the synthesis of pharmaceuticals and organic compounds. It is also utilized in research laboratories for preparing other chemical substances and in the production of certain dyes and pigments.

Is Ethyl 3-(4-nitrophenyl)-3-oxopropanoate (CAS: 838-57-3) safe?

Ethyl 3-(4-nitrophenyl)-3-oxopropanoate (CAS: 838-57-3) requires careful handling due to its potential for skin and eye irritation. It is important to use appropriate personal protective equipment such as gloves and goggles. Adequate ventilation and proper storage conditions should be maintained to ensure safety.

How should Ethyl 3-(4-nitrophenyl)-3-oxopropanoate (CAS: 838-57-3) be stored?

Ethyl 3-(4-nitrophenyl)-3-oxopropanoate (CAS: 838-57-3) should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to store it in a tightly sealed container to protect it from moisture and air exposure. The storage temperature should be below 25°C (77°F).