CAS Registry Number®
99-99-0
CAS Name
4-Nitrotoluene
Molecular Formula
C7H7NO2
Molecular Mass
137.14
Compound Properties
-
Boiling Point (1)
238 °C
-
Melting Point (1)
53-54 °C
-
Density (2)
1.29 g/cm³
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
- (2) International Chemical Safety Cards data were obtained from the National Institute for Occupational Safety and Health (US)
Other Names and Identifiers
InChI
InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
InChIKey
InChIKey=ZPTVNYMJQHSSEA-UHFFFAOYSA-N
SMILES
N(=O)(=O)C1=CC=C(C)C=C1
Canonical SMILES
O=N(=O)C1=CC=C(C=C1)C
Other Names for this Substance
- Benzene, 1-methyl-4-nitro-
- Toluene, p-nitro-
- 1-Methyl-4-nitrobenzene
- p-Methylnitrobenzene
- p-Nitrotoluene
- 4-Nitrotoluol
- PNT
- 4-Nitrotoluene
- 4-Methylnitrobenzene
- 4-Methyl-1-nitrobenzene
- para-Nitrotoluene
- NSC 9579
