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3,5-Bis(trifluoromethyl)phenol - ≥96.0%, high purity , CAS No.349-58-6

COA

Grade & Purity:

≥96%

Cas Number: 349-58-6
Molecular Weight: 230.11
Beilstein Registry Number: 2123670
EC Number: 206-488-3
MDL number: MFCD00000386
PubChem CID: 67680
PubChem SID: 488183989

In stock

Item Number

B123711

Grouped product items
SKU	Size	Availability	Price
B123711-1g	1g	5	$22.90
B123711-5g	5g	4	$84.90
B123711-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$130.90
B123711-25g	25g	4	$250.90
B123711-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$902.90
B123711-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$4,062.90

View related series

Non heterocyclic fluorine-containing block (1408) Oxygenated compounds (806)

Basic Description

Synonyms	EINECS 206-488-3 \| PS-7725 \| AM61506 \| FT-0614469 \| EN300-17180 \| ODSXJQYJADZFJX-UHFFFAOYSA- \| 3,5-Bis(trifluoromethyl)phenol \| 3,5-bis-(trifluoromethyl)phenol \| 3,5-bis(trifluoromethyl)-phenol \| 3,5-ditrifluoromethylphenol \| A822480 \| InChI=1/C8H4F6O/c9-
Specifications & Purity	≥96%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	It has been used as hydrogen donor in synergistic extraction of aluminium (III) and gallium (III) with 2,4-pentanedione in heptane

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	1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - 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 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

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	488183989
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183989
IUPAC Name	3,5-bis(trifluoromethyl)phenol
INCHI	InChI=1S/C8H4F6O/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H
InChIKey	ODSXJQYJADZFJX-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1C(F)(F)F)O)C(F)(F)F
Isomeric SMILES	C1=C(C=C(C=C1C(F)(F)F)O)C(F)(F)F
WGK Germany	3
Molecular Weight	230.11
Beilstein	2123670
Reaxy-Rn	2123670
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2123670&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.

8 results found

Lot Number	Certificate Type	Date	Item
A1712022	Certificate of Analysis	Aug 19, 2024	B123711
E2326189	Certificate of Analysis	Jun 05, 2023	B123711
B2208257	Certificate of Analysis	Dec 25, 2021	B123711
B2208325	Certificate of Analysis	Dec 25, 2021	B123711
E2326195	Certificate of Analysis	Dec 25, 2021	B123711
B2208336	Certificate of Analysis	Dec 25, 2021	B123711
B2208337	Certificate of Analysis	Dec 25, 2021	B123711
E2326192	Certificate of Analysis	Dec 25, 2021	B123711

Chemical and Physical Properties

Sensitivity	Air sensitive
Refractive Index	1.4140 - 1.4180
Flash Point(°F)	235.4 °F
Flash Point(°C)	>110°C
Boil Point(°C)	88°C/42mmHg
Melt Point(°C)	20-21°C
Molecular Weight	230.110 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	230.017 Da
Monoisotopic Mass	230.017 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	198.000
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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