1-Ethyl-4-nitrobenzene

100-12-9

CAS Name

1-Ethyl-4-nitrobenzene

Molecular Formula

C₈H₉NO₂

Molecular Mass

151.16

Compound Properties

• Boiling Point (1)

  251 °C @ Press: 760 Torr

• Melting Point (2)

  -12.3 °C

• Density (3)

  1.122-1.125 g/cm³ @ Temp: 15 °C

Source(s)

• (1) Barbero, Margherita; Synthesis, (2008), (3), 474-478, CAplus
• (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
• (3) Zdrojek, Tadeusz; Przemysl Chemiczny, (1968), 47(7), 413-15, CAplus

Other Names and Identifiers

InChI

InChI=1S/C8H9NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3

InChIKey

InChIKey=RESTWAHJFMZUIZ-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=CC=C(CC)C=C1

Canonical SMILES

O=N(=O)C1=CC=C(C=C1)CC

Other Names for this Substance