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4-(Trifluoromethoxy)phenol - 99%, high purity , CAS No.828-27-3

COA

Grade & Purity:

≥99%

Cas Number: 828-27-3
Molecular Weight: 178.11
EC Number: 212-583-0
MDL number: MFCD00040988
PubChem CID: 70015
PubChem SID: 504754477

In stock

Item Number

T109513

Grouped product items
SKU	Size	Availability	Price
T109513-1g	1g	1	$9.90
T109513-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$13.90
T109513-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$18.90
T109513-100g	100g	2	$64.90
T109513-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$292.90

View related series

Element classified compounds (2014) Trifluoromethoxy compound (76)

Basic Description

Synonyms	4-(Trifluoromethoxy)phenol \| 4-(trifluoromethoxy)-phenol \| p-Trifluoromethoxy phenol \| 4-(Trifluoromethoxy)phenol, 98% \| EINECS 212-583-0 \| MLCUUJQEMZNLPZ-UHFFFAOYSA-N \| 4-(trifluoromethyloxy)-phenol \| DTXSID60232002 \| Phenol, 4-(trifluoromethoxy)- \| R-2-
Specifications & Purity	≥99%
Storage Temp	Protected from light,Argon charged
Shipped In	Normal
Product Description	4-(Trifluoromethoxy)phenol was employed in the catalytic enantioselective synthesis of esters.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass 4-alkoxyphenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	4-alkoxyphenols
Intermediate Tree Nodes	Not available
Direct Parent	4-alkoxyphenols
Alternative Parents	Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Trihalomethanes Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	4-alkoxyphenol - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Trihalomethane - Organic oxygen compound - Halomethane - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the benzene ring.
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	504754477
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754477
IUPAC Name	4-(trifluoromethoxy)phenol
INCHI	InChI=1S/C7H5F3O2/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H
InChIKey	WDRJNKMAZMEYOF-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1O)OC(F)(F)F
Isomeric SMILES	C1=CC(=CC=C1O)OC(F)(F)F
WGK Germany	2
PubChem CID	70015
UN Number	2810
Molecular Weight	178.11
Reaxy-Rn	1945934

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.

7 results found

Lot Number	Certificate Type	Date	Item
B1421041	Certificate of Analysis	Jul 09, 2025	T109513
K2415567	Certificate of Analysis	Jul 05, 2024	T109513
K2415568	Certificate of Analysis	Jul 05, 2024	T109513
H2202472	Certificate of Analysis	May 21, 2024	T109513
H2202473	Certificate of Analysis	May 21, 2024	T109513
H1802022	Certificate of Analysis	Dec 11, 2023	T109513
H1802020	Certificate of Analysis	Dec 11, 2023	T109513

Chemical and Physical Properties

Sensitivity	Hygroscopic,light sensitive
Refractive Index	1.446-1.448
Flash Point(°F)	186.8 °F
Flash Point(°C)	86℃
Boil Point(°C)	80°C
Melt Point(°C)	17-18°C
Molecular Weight	178.110 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	178.024 Da
Monoisotopic Mass	178.024 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	138.000
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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