3-Chloro-N-methyl-2-nitroaniline
Basic information
- CAS
60498-57-9- Standard SMILES
CNc1cccc(Cl)c1[N+](=O)[O-]- InChIKey
ZMBXPFROSLWNDZ-UHFFFAOYSA-N- Molecular formula
- C7H7ClN2O2
- Average molar mass
- 186.59 g/mol
- Monoisotopic mass
- 186.0196052
Names & identifiers
- Preferred name
- 3-Chloro-N-methyl-2-nitroaniline
- IUPAC
- 3-chloro-N-methyl-2-nitroaniline
- English name
- Benzenamine, 3-chloro-N-methyl-2-nitro-
- Molecular formula
- C7H7ClN2O2
- Molecular weight
- 186.6
Names & synonyms
3-Chloro-N-methyl-2-nitroaniline60498-57-9DTXSID40507109RefChem:278565DTXCID80457917Benzenamine, 3-chloro-N-methyl-2-nitro-3-Chloro-N-methyl-2-nitrobenzenamine(3-Chloro-2-nitro-phenyl)-methyl-amineSCHEMBL1848788SCHEMBL6963561SCHEMBL31123135ZMBXPFROSLWNDZ-UHFFFAOYSA-N
Show more names
3-chloro-N-methyl-2-nitro-anilineKCA49857MFCD20266772SY336729WS-02378DB-151819E72160EN300-7431596
Database identifiers
- CAS
60498-57-9- PubChem CID
- 12693232
- DTXSID
DTXSID40507109
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 50 °C · 50 °C(Solvent: Ligroine)
- Boiling point
- 321.219 · 321.219±27.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.406 · 1.406±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.284 · -1.284±0.25(predicted)
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Compound notes
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