Structure via PubChem · Public domain (PubChem)
p-nitrotoluene
Sign in to saveAlso known as p-methylnitrobenzene, 4-methylnitrobenzene, para-nitrotoluene
4-Nitrotoluene or '''para-nitrotoluene''' is an organic compound with the formula CH3C6H4NO2. It is a pale yellow solid. It is one of three isomers of nitrotoluene.
Chemical data
- Formula
- C7H7NO2
- Molecular weight
- 137.14 g/mol
- IUPAC name
- 1-methyl-4-nitrobenzene
- SMILES
- CC1=CC=C(C=C1)[N+](=O)[O-]
- InChIKey
- ZPTVNYMJQHSSEA-UHFFFAOYSA-N
- XLogP
- 2.4
- Polar surface area
- 45.8 Ų
- H-bond donors
- 0
- H-bond acceptors
- 2
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Mass
- 137.048
Show 14 more facts
- flash point
- 223
- chemical formula
- C₇H₇NO₂
- NIOSH Pocket Guide ID
- 0464
- density
- 1.12
- immediately dangerous to life or health
- 1122
- melting point
- 51.6
- boiling point
- 238.3
- solubility
- 0.04
- lower flammable limit
- 1.6
- ionization energy
- 9.40
- vapor pressure
- 0.1
- time-weighted average exposure limit
- 30
- canonical SMILES
- CC1=CC=C(C=C1)[N+](=O)[O-]
- Commons category
- 4-Nitrotoluene
Sources (3)
via Wikidata · CC0
~1 min read
Encyclopedic overview
5 sectionsContents
- Synthesis and reactions
- Applications
- Safety
- References
- External links
4-Nitrotoluene or '''para-nitrotoluene' is an organic compound with the formula CH3C6H4NO2. It is a pale yellow solid. It is one of three isomers of nitrotoluene.
==Synthesis and reactions== Together with other isomers, 4-nitrotoluene is prepared by nitration of toluene, commonly using titanium(IV) nitrate. It undergoes the reactions typical for nitrobenzene derivatives, e.g. hydrogenation gives p''-toluidine.
Excerpted from Wikipedia’s “p-nitrotoluene” article, available under the CC BY-SA 4.0 licence.