3-(Trifluoromethyl)benzaldehyde (C8H5F3O)

3-(Trifluoromethyl)benzaldehyde (C8H5F3O; CAS 454-89-7) is a practical retrosynthesis target. 3-(Trifluoromethyl)benzaldehyde presents a C8 framework, aromatic rings, halogen substitution. Open AI route search in one click below.

Target: 3-(Trifluoromethyl)benzaldehyde
CAS: 454-89-7
Formula: C8H5F3O
Approx. MW: 174.12
SMILES: O=Cc1cccc(C(F)(F)F)c1
PubChem CID: 67990
Approx. carbons: C8

3-(Trifluoromethyl)benzaldehyde structure

Properties

IUPAC name: 3-(trifluoromethyl)benzaldehyde
Common names: 3-(Trifluoromethyl)benzaldehyde; 454-89-7; Benzaldehyde, 3-(trifluoromethyl)-; alpha,alpha,alpha-Trifluoro-m-tolualdehyde; m-(trifluoromethyl)benzaldehyde; EINECS 207-228-1; AT7H4H5U3E; DTXSID8022032; m-Tolualdehyde, .alpha.,.alpha.,.alpha.-trifluoro-; 3-(TRIFLUOROMETHYL)PHENYLCARBOXALDEHYDE
Molecular weight: 174.12
Exact mass: 174.03
InChIKey: NMTUHPSKJJYGML-UHFFFAOYSA-N

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3-(Trifluoromethyl)benzaldehyde 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-(Trifluoromethyl)benzaldehyde?

3-(Trifluoromethyl)benzaldehyde has molecular formula C8H5F3O. Molecular weight about 174.12 g·mol⁻¹.

What is the CAS number of 3-(Trifluoromethyl)benzaldehyde?

The CAS Registry Number for 3-(Trifluoromethyl)benzaldehyde is 454-89-7.

Run AI retrosynthesis for 3-(Trifluoromethyl)benzaldehyde Target catalog AI tools overview

One click loads 3-(Trifluoromethyl)benzaldehyde into ChemicalHelper Reaction for route exploration.

Related targets

Similar compounds

(1-Bromoethyl)benzene (2-Chloroethoxy)benzene (2-Chloroethyl)benzene (Chloroethynyl)benzene [(2-Chloroethyl)sulfonyl]benzene 1-(3-Bromo-4-fluorophenyl)ethanone

Browse the full target catalog

References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.