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Molecule record

1-nitro-3-(trifluoromethyl)benzene

C7H4F3NO2

191.11 g/mol

Loading structure

Molecular properties

Formula
C7H4F3NO2
Molar mass
191.11 g·mol−1
Exact mass
191.0194 Da
5
PubChem CID
7386

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

  • 1,3-Nitrobenzotrifluoride
  • 3-(Trifluoromethyl)nitrobenzene
  • 3-Nitro-alpha,alpha,alpha-trifluorotoluene
  • 3-Nitrobenzotrifluoride
  • 98-46-4
  • AI3-07485
  • Benzene, 1-nitro-3-(trifluoromethyl)-
  • CCRIS 2814
Show all 24 synonyms
  • DTXSID9025794
  • EINECS 202-670-1
  • GU6L7C6HW3
  • HSDB 4250
  • M-(TRIFLUOROMETHYL)NITROBENZENE
  • NSC 10313
  • Toluene, 3-nitro-alpha,alpha,alpha-trifluoro-
  • Toluene, alpha,alpha,alpha-trifluoro-m-nitro-
  • USAF MA-5
  • alpha,alpha,alpha-Trifluoro-3-nitrotoluene
  • alpha,alpha,alpha-Trifluoro-m-nitrotoluene
  • alpha,alpha,alpha-Trifluoronitrotoluene
  • m-Nitrobenzotrifluoride
  • m-Nitrotrifluorotoluene
  • m-Nitrotrifluortoluol
  • m-Nitrotrifluortoluol [German]

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1cccc(C(F)(F)F)c1
Isomeric SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H
InChIKey
WHNAMGUAXHGCHH-UHFFFAOYSA-N
PubChem CID
7386

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1-nitro-3-(trifluoromethyl)benzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-nitro-3-(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.

PubChem(link only)
Open source record
1-nitro-3-(trifluoromethyl)benzene - Formula, Structure | ChemArche