Skip to the beginning of the images gallery

4-(Trifluoromethylthio)phenol - ≥98.0%, high purity , CAS No.461-84-7

COA

Grade & Purity:

≥98%

Cas Number: 461-84-7
Molecular Weight: 194.17
Beilstein Registry Number: 6(4)5815
MDL number: MFCD00036035
PubChem CID: 3815158
PubChem SID: 504762745

In stock

Item Number

T123708

Grouped product items
SKU	Size	Availability	Price
T123708-1g	1g	3	$9.90
T123708-5g	5g	3	$13.90
T123708-25g	25g	1	$19.90
T123708-100g	100g	1	$49.90
T123708-500g	500g	1	$169.90

View related series

Element classified compounds (2014) Non heterocyclic fluorine-containing block (1408)

Basic Description

Synonyms	4-((Trifluoromethyl)thio)phenol \| 4-(trifluoromethylsulfanyl)phenol \| 4-(Trifluoromethylthio)phenol, 98% \| 4-[(Trifluoromethyl)sulphanyl]phenol \| p-(trifluoromethylthio)phenol \| AM62333 \| 4-[(trifluoromethyl)sulfanyl]phenol \| 4-(trifluoromethylthio)hydrox
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	4-(Trifluoromethylthio)phenol undergoes reaction with NBS (N-Bromosuccinimide), NIS (N-Iodosuccinimide), HNO3, HNO3/H2SO4 and 4-bromobenzyl bromide to afford bromo-, iodo-, nitro- and benzyl substituted products

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioethers
    - Subclass Aryl thioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioethers
Subclass	Aryl thioethers
Intermediate Tree Nodes	Not available
Direct Parent	Aryl thioethers
Alternative Parents	Thiophenol ethers Alkylarylthioethers 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Trihalomethanes Sulfenyl compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aryl thioether - Thiophenol ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Trihalomethane - Sulfenyl compound - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
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	504762745
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762745
IUPAC Name	4-(trifluoromethylsulfanyl)phenol
INCHI	InChI=1S/C7H5F3OS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H
InChIKey	YYCPTWHVKSATQK-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1O)SC(F)(F)F
Isomeric SMILES	C1=CC(=CC=C1O)SC(F)(F)F
WGK Germany	3
PubChem CID	3815158
Molecular Weight	194.17
Beilstein	6(4)5815
Reaxy-Rn	1945936

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.

8 results found

Lot Number	Certificate Type	Date	Item
I2410514	Certificate of Analysis	Aug 30, 2024	T123708
I2410518	Certificate of Analysis	Aug 30, 2024	T123708
I2410504	Certificate of Analysis	Aug 30, 2024	T123708
I2410508	Certificate of Analysis	Aug 30, 2024	T123708
I2410509	Certificate of Analysis	Aug 30, 2024	T123708
I2410513	Certificate of Analysis	Aug 30, 2024	T123708
E2305912	Certificate of Analysis	Apr 13, 2023	T123708
H1521094	Certificate of Analysis	Apr 13, 2023	T123708

Chemical and Physical Properties

Solubility	Soluble in Methanol
Boil Point(°C)	77-78°C
Melt Point(°C)	60-61.5°C
Molecular Weight	194.180 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	194.001 Da
Monoisotopic Mass	194.001 Da
Topological Polar Surface Area	45.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	140.000
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