Molecular properties
- Formula
- C7H4F3NO2
- Molar mass
- 191.11 g·mol−1
- Exact mass
- 191.0194 Da
- 5
- PubChem CID
- 9795
Molecule record
1-nitro-2-(trifluoromethyl)benzene
C7H4F3NO2
191.11 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkyl halide
Aromatic ring
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-Nitro-2(trifluoromethyl)benzene
- 1Nitro2(trifluoromethyl)benzene
- 2-NITRO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUOROTOLUENE [HSDB]
- 2-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
- 2-Nitro-.alpha.,.alpha.,.alpha.-trifluorotoluene
- 2-Nitrobenzotrifluoride
- 2Nitrobenzotrifluoride
- Benzene, 1nitro2(trifluoromethyl)
Show all 24 synonyms
- CCRIS 2813
- DTXCID805793
- DTXSID4025793
- EINECS 206-855-8
- HSDB 4260
- NITRO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUOROTOLUENE, 2-
- NITRO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE, 2-
- RefChem:88697
- Toluene, 2-nitro-.alpha.,.alpha.,.alpha.-trifluoro-
- Toluene, 2-nitro-alpha,alpha,alpha-trifluoro-
- Toluene, alpha,alpha,alphatrifluoroonitro
- UN2306
- UNII-OVB3L8GIVJ
- alpha,alpha,alphaTrifluoroonitrotoluene
- o(Trifluoromethyl)nitrobenzene
- oNitrobenzotrifluoride
Structure identifiers
- Canonical SMILES
- O=[N+]([O-])c1ccccc1C(F)(F)F
- Isomeric SMILES
- C1=CC=C(C(=C1)C(F)(F)F)[N+](=O)[O-]
- InChI
- InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-1-2-4-6(5)11(12)13/h1-4H
- InChIKey
- NDZJSUCUYPZXPR-UHFFFAOYSA-N
- PubChem CID
- 9795
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 1-nitro-2-(trifluoromethyl)benzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-nitro-2-(trifluoromethyl)benzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.