2,3-Dimethylbenzotrifluoride
Product Specifications
- CAS
- 80245-28-9
- MF
- C9H9F3
- Appearance
- colorless liquid
- Synonym(s)
- 1,2-dimethyl-3-(trifluoromethyl)benzene; Benzene, 1,2-dimethyl-3-(trifluoromethyl)-
- Shipping
- 2-8°C
- Storage
- 2-8°C
2,3-Dimethylbenzotrifluoride is associated with CAS 80245-28-9 and formula C9H9F3. PubChem resolves the CAS to CID 12712339, titled 1,2-Dimethyl-3-(trifluoromethyl)benzene. The page name is also listed as an official synonym in that record. These two naming styles describe the same CID: one starts from benzotrifluoride terminology, while the other explicitly names the trifluoromethyl group and renumbers the substituted benzene ring.
The confirmed SMILES, CC1=C(C(=CC=C1)C(F)(F)F)C, contains two methyl branches and a carbon bonded to three fluorine atoms. Their connections specify one particular trisubstituted benzene graph. InChIKey VERXMJNGDGKQBH-UHFFFAOYSA-N agrees with the site InChI and PubChem CID. Formula C9H9F3 alone would not show ring positions, so the connection string and fixed key remain essential when another dimethylbenzotrifluoride wording appears.
A comparison request should name CAS 80245-28-9 and include either the complete site title or PubChem’s systematic expression. A MOL or SDF attachment can make the two methyl positions and the trifluoromethyl-bearing carbon directly reviewable. CID 12712339, the page SMILES, and the matching InChIKey then anchor the request to one structure. This identifier set supports nomenclature reconciliation while avoiding assumptions about any characteristic that is not part of the public identity record.