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Isopropyl 2-(3-Nitrobenzylidene)Acetoacetate

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Isopropyl 2-(3-Nitrobenzylidene)Acetoacetate / CAS : 39562-25-9

Appearance solid UN -
HS 29183000 DG Class -
Synonyms 2-(3-Nitrobenzylidene)Acetoacetate; Isopropyl 2-(3-Nitrobenzylidene)-3-Oxobutanoate; (E)-Isopropyl 2-(3-Nitrobenzylidene)-3-Oxobutanoate
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Properties

Summary

Formula
C14H15NO5
Molecular Mass
277.27300
Exact Mass
277.09500
PSA
89.19000
Logp
3.04200
IUPAC
propan-2-yl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
SMILES
CC(C)OC(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
94 °C
Density
1.229±0.06 g/cm3
Boiling Point
404.9±35.0 °C
Appearance
solid

Export information

HS Code
29183000
Export Rebate
13%

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