CAS Registry Number®
98-95-3
CAS Name
Nitrobenzene
Molecular Formula
C6H5NO2
Molecular Mass
123.11
Compound Properties
-
Boiling Point (1)
210.8 °C
-
Melting Point (1)
5.7 °C
-
Density (1)
1.2037 g/cm³ @ Temp: 20 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey
InChIKey=LQNUZADURLCDLV-UHFFFAOYSA-N
SMILES
N(=O)(=O)C1=CC=CC=C1
Canonical SMILES
O=N(=O)C=1C=CC=CC1
Other Names for this Substance
- Benzene, nitro-
- Nitrobenzene
- Essence of Mirbane
- Essence of Myrbane
- Mirbane oil
- Nitrobenzol
- Oil of Mirbane
- Oil of Myrbane
- NSC 9573
- 1-Nitrobenzene