Skip to the beginning of the images gallery

3,5-Bis(trifluoromethyl)benzaldehyde - 97%, high purity , CAS No.401-95-6

1 Citations

COA

Grade & Purity:

≥97%

Cas Number: 401-95-6
Molecular Weight: 242.12
Beilstein Registry Number: 1884058
MDL number: MFCD00010206
PubChem CID: 136247
PubChem SID: 504757057

In stock

Item Number

B100806

Grouped product items
SKU	Size	Availability	Price
B100806-1g	1g	2	$9.90
B100806-5g	5g	2	$13.90
B100806-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$23.90
B100806-25g	25g	3	$45.90
B100806-100g	100g	3	$164.90

View related series

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

Basic Description

Synonyms	3,5-di(Trifluoromethyl)benzaldehyde \| Z1187714399 \| DTXSID80193141 \| 3,5-bis(trifluoromethyl) benzaldehyde \| AM61519 \| AB01024 \| FT-0614449 \| J-650269 \| 3,5-di(trifiuoromethyl)benzaldehyde \| 3,5-Bis(trifluoromethyl)benzaldehyde, 97% \| J-511235 \| 3,5-bis-(
Specifications & Purity	≥97%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	3,5-Bis(trifluoromethyl)benzaldehyde was used in the synthesis of of a series of meso-3,5-bis(trifluoromethyl)phenyl-substituted expanded porphyrins.

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

Names and Identifiers

Pubchem Sid	504757057
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504757057
IUPAC Name	3,5-bis(trifluoromethyl)benzaldehyde
INCHI	InChI=1S/C9H4F6O/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-4H
InChIKey	LDWLIXZSDPXYDR-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=O
Isomeric SMILES	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=O
WGK Germany	3
Molecular Weight	242.12
Beilstein	1884058
Reaxy-Rn	1884058
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1884058&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot Number	Certificate Type	Date	Item
B2321360	Certificate of Analysis	Nov 15, 2024	B100806
K2419475	Certificate of Analysis	Jun 22, 2024	B100806
K2419508	Certificate of Analysis	Jun 22, 2024	B100806
I2201128	Certificate of Analysis	Jun 04, 2024	B100806
I2201139	Certificate of Analysis	Jun 04, 2024	B100806
H2114029	Certificate of Analysis	May 12, 2023	B100806
H2114030	Certificate of Analysis	May 12, 2023	B100806
H2114031	Certificate of Analysis	May 12, 2023	B100806
D2422071	Certificate of Analysis	Jun 16, 2022	B100806

Chemical and Physical Properties

Solubility	Insoluble in water. Soluble in many organic solvents.
Sensitivity	Air Sensitive
Refractive Index	1.4215-1.4235
Flash Point(°F)	156.2 °F
Flash Point(°C)	69℃
Boil Point(°C)	171°C
Molecular Weight	242.120 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	242.017 Da
Monoisotopic Mass	242.017 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	234.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Jia Lv, Bingwei He, Jingwen Yu, Yitong Wang, Changping Wang, Song Zhang, Hui Wang, Jingjing Hu, Qiang Zhang, Yiyun Cheng. (2018) Fluoropolymers for intracellular and in vivo protein delivery. BIOMATERIALS, 182 (167).

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration