Skip to the beginning of the images gallery

(3-Fluoro-2-(trifluoromethyl)phenyl)methanol - ≥95%, high purity , CAS No.261951-83-1

COA

Grade & Purity:

≥95%

Cas Number: 261951-83-1
Molecular Weight: 194.13
PubChem CID: 2774788

In stock

Item Number

P735845

Grouped product items
SKU	Size	Availability	Price
P735845-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
P735845-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14.90
P735845-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90

View related series

Fluorine-containing compounds (56)

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Benzyl alcohols Fluorobenzenes Aryl fluorides Primary alcohols Organofluorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Benzyl alcohol - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organofluoride - Organohalogen compound - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Alkyl fluoride - Alcohol - Alkyl halide - Organooxygen compound - Primary alcohol - 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

IUPAC Name	[3-fluoro-2-(trifluoromethyl)phenyl]methanol
INCHI	InChI=1S/C8H6F4O/c9-6-3-1-2-5(4-13)7(6)8(10,11)12/h1-3,13H,4H2
InChIKey	WDLGIHLFVHJXAK-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)F)C(F)(F)F)CO
Isomeric SMILES	C1=CC(=C(C(=C1)F)C(F)(F)F)CO
PubChem CID	2774788
Molecular Weight	194.13

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	194.130 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	194.035 Da
Monoisotopic Mass	194.035 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	168.000
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

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