4-Ethylnitrobenzene
CAS No.:
100-12-9
M. Wt:
151.163
M. Fa:
C8H9NO2
InChI Key:
RESTWAHJFMZUIZ-UHFFFAOYSA-N
Appearance:
Colorless Liquid
Names and Identifiers of 4-Ethylnitrobenzene
CAS Number |
100-12-9 |
|---|---|
EC Number |
202-821-1 |
MDL Number |
MFCD00007385 |
IUPAC Name |
1-ethyl-4-nitrobenzene |
InChI |
InChI=1S/C8H9NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3 |
InChIKey |
RESTWAHJFMZUIZ-UHFFFAOYSA-N |
Canonical SMILES |
CCC1=CC=C(C=C1)[N+](=O)[O-] |
UNII |
PF7XXJ3RM4 |
UNSPSC Code |
12352100 |
Physical and chemical properties of 4-Ethylnitrobenzene
Boiling Point |
246.2±9.0 °C at 760 mmHg |
|---|---|
Density |
1.1±0.1 g/cm3 |
Exact Mass |
151.063324 |
Flash Point |
107.7±11.5 °C |
H Bond Acceptors |
2 |
H Bond Donors |
0 |
Index of Refraction |
1.544 |
LogP |
2.94 |
Melting Point |
55-59 °C(lit.) |
Molecular Formula |
C8H9NO2 |
Molecular Weight |
151.163 |
PSA |
45.82000 |
Vapour Pressure |
0.02 [mmHg] |
Safety Information of 4-Ethylnitrobenzene
Applications of 4-Ethylnitrobenzene
4-Ethylnitrobenzene is primarily used as an intermediate in the synthesis of various chemicals, including dyes, pharmaceuticals, and agrochemicals. Its derivatives are utilized in the production of:
- Pharmaceuticals: As a precursor for active pharmaceutical ingredients.
- Dyes: In the manufacturing of azo dyes and other colorants.
- Chemical Research: As a reagent in organic synthesis and research applications.
Interaction Studies of 4-Ethylnitrobenzene
Interaction studies involving 4-ethylnitrobenzene focus on its reactivity with various reagents and its potential biological effects. The compound has been investigated for its interactions in oxidation reactions, particularly its conversion to more complex compounds like 4-nitroacetophenone. Furthermore, studies on its toxicity highlight the need for careful handling due to potential health risks associated with exposure.
Physical sample testing spectrum (NMR) of 4-Ethylnitrobenzene
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