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3-(Trifluoromethoxy)phenol - 98%, high purity , CAS No.827-99-6

COA

Grade & Purity:

≥98%

Cas Number: 827-99-6
Molecular Weight: 178.11
MDL number: MFCD00040987
PubChem CID: 2733261
PubChem SID: 488192367

In stock

Item Number

T116076

Grouped product items
SKU	Size	Availability	Price
T116076-1g	1g	3	$9.90
T116076-5g	5g	3	$36.90
T116076-25g	25g	4	$112.90
T116076-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$403.90

View related series

Element classified compounds (2014) Trifluoromethoxy compound (76)

Basic Description

Synonyms	T1615 \| DTXSID90369815 \| SCHEMBL224912 \| m-(trifluoromethoxy)phenol \| FT-0613914 \| MFCD00040987 \| 3-(Tifluoromethoxy)phenol \| Phenol, 3-(trifluoromethoxy)- \| 3-trifluoromethoxyphenol \| 3-Trifluoromethoxy-phenol \| PS-8562 \| STL554620 \| AKOS005145713 \| CS-W
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Trihalomethanes Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Trihalomethane - 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 phenol ethers. These are aromatic compounds containing an ether group substituted with a 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

Names and Identifiers

Pubchem Sid	488192367
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488192367
IUPAC Name	3-(trifluoromethoxy)phenol
INCHI	InChI=1S/C7H5F3O2/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4,11H
InChIKey	UWLJERQTLRORJN-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)OC(F)(F)F)O
Isomeric SMILES	C1=CC(=CC(=C1)OC(F)(F)F)O
WGK Germany	3
PubChem CID	2733261
Molecular Weight	178.11
Reaxy-Rn	1868036

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
K2201741	Certificate of Analysis	Aug 22, 2024	T116076
K2201859	Certificate of Analysis	Aug 22, 2024	T116076
K2201749	Certificate of Analysis	Aug 22, 2024	T116076
K2201850	Certificate of Analysis	Aug 22, 2024	T116076
E2225149	Certificate of Analysis	Feb 21, 2024	T116076
E2225223	Certificate of Analysis	Feb 21, 2024	T116076
E2225207	Certificate of Analysis	Feb 21, 2024	T116076
E2225214	Certificate of Analysis	Feb 25, 2022	T116076

Chemical and Physical Properties

Refractive Index	1.45
Flash Point(°F)	184 °F
Flash Point(°C)	184°F
Boil Point(°C)	69-70°C
Melt Point(°C)	69-70°C
Molecular Weight	178.110 g/mol
XLogP3	2.800
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	146.000
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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