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2-(Trifluoromethyl)benzaldehyde - 98%, high purity , CAS No.447-61-0

COA

Grade & Purity:

≥98%

Cas Number: 447-61-0
Molecular Weight: 174.12
Beilstein Registry Number: 7(3)1013
EC Number: 207-185-9
MDL number: MFCD00003337
PubChem CID: 123067
PubChem SID: 488187706

In stock

Item Number

T102705

Grouped product items
SKU	Size	Availability	Price
T102705-5g	5g	8	$19.90
T102705-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
T102705-25g	25g	8	$57.90
T102705-100g	100g	5	$205.90
T102705-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$923.90

View related series

Carbonyl compound (2335) Non heterocyclic fluorine-containing block (1408)

Basic Description

Synonyms	2-trifluoromethyibenzaldehyde \| EINECS 207-185-9 \| 3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzo[7]annulen-6-one \| A7105 \| A826680 \| A,A,A-TRIFLUORO-O-TOLUALDEHYDE \| 2-Trifluoromethylbenzaldehyde \| 2-trifluorometh
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	2-(Trifluoromethyl)benzaldehyde has been used in the preparation of: ω-(dimethylamino)-alkylethyl-4(-2-(trifluorormethyl)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5- dicarboxylates methyl (E)-2-[2-[(E)-2-(2-trifluoromethylphenyl)vinyl]-phenyl]-3-methoxyacrylate via Wittig-Horner reaction

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Trifluoromethylbenzenes

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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488187706
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187706
IUPAC Name	2-(trifluoromethyl)benzaldehyde
INCHI	InChI=1S/C8H5F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-5H
InChIKey	ZDVRPKUWYQVVDX-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C=O)C(F)(F)F
Isomeric SMILES	C1=CC=C(C(=C1)C=O)C(F)(F)F
WGK Germany	3
UN Number	1993
Packing Group	III
Molecular Weight	174.12
Beilstein	7(3)1013
Reaxy-Rn	2045512

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
E2304321	Certificate of Analysis	Feb 11, 2025	T102705
E2304305	Certificate of Analysis	Feb 11, 2025	T102705
E2304304	Certificate of Analysis	Feb 11, 2025	T102705
I2410243	Certificate of Analysis	Sep 18, 2024	T102705
H2423233	Certificate of Analysis	Jun 24, 2024	T102705
F1820062	Certificate of Analysis	Nov 07, 2023	T102705
K2118666	Certificate of Analysis	Aug 14, 2023	T102705
K2118566	Certificate of Analysis	Aug 14, 2023	T102705
K2118665	Certificate of Analysis	Aug 14, 2023	T102705
F1820061	Certificate of Analysis	Feb 19, 2022	T102705

Chemical and Physical Properties

Solubility	Soluble in most organic solvents.
Sensitivity	Air sensitive.
Refractive Index	1.466
Flash Point(°F)	141.8 °F
Flash Point(°C)	61 °C
Boil Point(°C)	70°C/15.8mmHg
Melt Point(°C)	-40 °C
Molecular Weight	174.120 g/mol
XLogP3	2.600
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 Å²
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

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