ChemicalBook--->CAS DataBase List--->2531-80-8

2531-80-8

2531-80-8 Structure

2531-80-8 Structure
IdentificationBack Directory
[Name]

ETHYL 2-NITROPROPIONATE
[CAS]

2531-80-8
[Synonyms]

Nsc 63896
ethyl 2-nitropropanoate
ETHYL 2-NITROPROPIONATE
Ethyl 2-nitropropiote, 96%
Ethyl alpha-nitropropionate
Ethyl 2-nitropropionate 96%
2-nitro-propanoicaciethylester
2-Nitropropanoic acid ethyl ester
Propanoic acid, 2-nitro-, ethyl ester
Propionic acid, 2-nitro-, ethyl ester
[Molecular Formula]

C5H9NO4
[MDL Number]

MFCD00024818
[MOL File]

2531-80-8.mol
[Molecular Weight]

147.13
Chemical PropertiesBack Directory
[Boiling point ]

75-76 °C9 mm Hg(lit.)
[density ]

1.13 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.421(lit.)
[Fp ]

193 °F
[storage temp. ]

Store at room temperature
[form ]

liquid
[pka]

5.98±0.10(Predicted)
[Appearance]

Colorless to light yellow Liquid
[Water Solubility ]

Not miscible in water.
[BRN ]

774734
[InChI]

1S/C5H9NO4/c1-3-10-5(7)4(2)6(8)9/h4H,3H2,1-2H3
[InChIKey]

ZXBGJDZWJJFFQY-UHFFFAOYSA-N
[SMILES]

CCOC(=O)C(C)[N+]([O-])=O
[EPA Substance Registry System]

Propanoic acid, 2-nitro-, ethyl ester (2531-80-8)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[RIDADR ]

NA 1993 / PGIII
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

Ethyl 2-nitropropionate is used in the preparation of (-)-trans-2,5-dimethylprolineethyl ester via enantioselective Michael reaction methyl vinyl ketone using modified dihydroquinine as catalyst, novel nitrogen-15-labeled nitrone spin trap, 5-ethoxycarbonyl-5-methyl-1-pyrroline N-oxide ([15N]EMPO) for detecting superoxide anion, 2-ethoxycarbonyl-2-nitropentanal. It is used for enantioselective Michael reactions.
[Uses]

Ethyl 2-nitropropionate was used in the preparation of:
  • (?)-trans-2,5-dimethylprolineethyl ester via enantioselective Michael reaction methyl vinyl ketone using modified dihydroquinine as catalyst
  • novel nitrogen-15-labeled nitrone spin trap, 5-ethoxycarbonyl-5-methyl-1-pyrroline N-oxide ([15N]EMPO) for detecting superoxide anion
  • 2-ethoxycarbonyl-2-nitropentanal
[General Description]

Ethyl 2-nitropropionate is a nitro ester.
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 2-NITROPROPIONATE(2531-80-8)1HNMR
ETHYL 2-NITROPROPIONATE(2531-80-8)Raman
ETHYL 2-NITROPROPIONATE(2531-80-8)IR
ETHYL 2-NITROPROPIONATE(2531-80-8)FT-IR
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