≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488184060 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184060 |
| Canonical Smiles | C1=CC(=CC(=C1)C(F)(F)F)C=O |
| IUPAC Name | 3-(trifluoromethyl)benzaldehyde |
| InChIKey | NMTUHPSKJJYGML-UHFFFAOYSA-N |
| INCHI | 1S/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5H |
| Isomeric SMILES | C1=CC(=CC(=C1)C(F)(F)F)C=O |
| WGK Germany | 3 |
| PubChem CID | 67990 |
| Molecular Weight | 174.12 |
| Beilstein | 2327537 |
| Reaxy-Rn | 2327537 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Benzoyl derivatives Benzaldehydes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aldehyde - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2412047 | Certificate of Analysis | Dec 12, 2025 | T113618 |
| G1831070 | Certificate of Analysis | Sep 16, 2025 | T113618 |
| G1831069 | Certificate of Analysis | Sep 16, 2025 | T113618 |
| E1619038 | Certificate of Analysis | Jun 16, 2025 | T113618 |
| E2305788 | Certificate of Analysis | Apr 14, 2022 | T113618 |
| Refractive Index | 1.4639-1.4659 |
|---|---|
| Flash Point(°F) | 68℃ |
| Flash Point(°C) | 68℃ |
| Boil Point(°C) | 83-86°C |
| Molecular Weight | 174.120 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 174.029 Da |
| Monoisotopic Mass | 174.029 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 164.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Bo Cao, Xiaodan Huang, Wenxiang Zhang, Peng Wu. (2022) Fluorine-Containing Flow Modifier for BN/PPS Composites Enabled by Low Surface Energy. MOLECULES, 27 (22): (8066). [PMID:36432166] [10.3390/molecules27228066] |
