
Nitrobenzene
Nitrobenzene is a nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline. It is a member of nitrobenzenes and a nitroarene. — ChEBI
- IUPAC name
- nitrobenzene
- Molecular formula
- C6H5NO2
- Molecular weight
- 123.11 g/mol
- Exact mass
- 123.032028402 Da
- XLogP3
- 1.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:27798
- ChEMBL:CHEMBL15750
- EPA DTXSID:DTXSID3020964
- PubMed:23125798
- PubMed:23125797
- PubMed:23125638
- PubMed:23101651
- PubMed:23035569
- PubMed:23012501
- PubMed:23008759
- PubMed:22969546
- PubMed:22966697
- PubMed:22958188
- PubMed:22956312
- PubMed:22946839
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.