Structure via PubChem · Public domain (PubChem)
3,4-dichloronitrobenzene
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1,2-Dichloro-4-nitrobenzene is an organic compound with the formula 1,2-ClCH-4-NO. This pale yellow solid is related to 1,2-dichlorobenzene by the replacement of one H atom with a nitro functional group. This compound is an intermediate in the synthesis of agrochemicals.
Chemical data
- Formula
- C6H3Cl2NO2
- Molecular weight
- 192 g/mol
- IUPAC name
- 1,2-dichloro-4-nitrobenzene
- SMILES
- C1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl
- InChIKey
- NTBYINQTYWZXLH-UHFFFAOYSA-N
- XLogP
- 3.1
- 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
- Subclass of
- chemical compound
- Mass
- 190.954
Show 4 more facts
- MCN code
- 2904.99.16
- chemical formula
- C₆H₃Cl₂NO₂
- canonical SMILES
- C1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl
- melting point
- 41.0
Sources (2)
via Wikidata · CC0
~1 min read
Encyclopedic overview
2 sectionsContents
- Production and uses
- References
1,2-Dichloro-4-nitrobenzene is an organic compound with the formula 1,2-ClCH-4-NO. This pale yellow solid is related to 1,2-dichlorobenzene by the replacement of one H atom with a nitro functional group. This compound is an intermediate in the synthesis of agrochemicals.
==Production and uses== The nitration of 1,2-dichlorobenzene mainly produces 1,2-dichloro-4-nitrobenzene, together with smaller amounts of the 3-nitro isomer. It can also be prepared by chlorination of 1-chloro-4-nitrobenzene.
Excerpted from Wikipedia’s “3,4-dichloronitrobenzene” article, available under the CC BY-SA 4.0 licence.