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2-Iodo-4-(trifluoromethyl)phenol - ≥97%, high purity , CAS No.463976-21-8

COA

Grade & Purity:

≥97%

Cas Number: 463976-21-8
Molecular Weight: 288.01
PubChem CID: 11572816
PubChem SID: 488197597

In stock

Item Number

I138877

Grouped product items
SKU	Size	Availability	Price
I138877-100mg	100mg	2	$30.90
I138877-250mg	250mg	2	$57.90
I138877-1g	1g	2	$157.90
I138877-5g	5g	2	$709.90
I138877-25g	25g	2	$3,193.90

Basic Description

Synonyms	2-iodo-4-(trifluoromethyl)phenol \| 463976-21-8 \| 2-IODO-4-TRIFLUOROMETHYL-PHENOL \| Phenol, 2-iodo-4-(trifluoromethyl)- \| SCHEMBL365939 \| 4-trifluoromethyl-6-iodophenol \| 2-Iodo-4-Trifluoromethylphenol \| DTXSID20468800 \| 2-iodo-4-(trifluoromethyl)-phenol \| BCP08794 \| MFCD1292
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Application： 2-Iodo-4-(trifluoromethyl)phenol is an pharmaceutical intermediate and it is an intermediate in organic synthesis.

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	O-iodophenols Iodobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Organooxygen compounds Organoiodides Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - 2-halophenol - 2-iodophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Iodobenzene - Aryl halide - Aryl iodide - Organoiodide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organohalogen compound - Organofluoride - 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

Pubchem Sid	488197597
IUPAC Name	2-iodo-4-(trifluoromethyl)phenol
INCHI	InChI=1S/C7H4F3IO/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,12H
InChIKey	MRDCXUYQUSFQKF-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(F)(F)F)I)O
Isomeric SMILES	C1=CC(=C(C=C1C(F)(F)F)I)O
Molecular Weight	288.01
Reaxy-Rn	10156231
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10156231&ln=

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

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

Analytical Chart:

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11 results found

Lot Number	Certificate Type	Date	Item
B2328837	Certificate of Analysis	Dec 16, 2024	I138877
C2511107	Certificate of Analysis	Dec 10, 2024	I138877
B2328836	Certificate of Analysis	Mar 11, 2023	I138877
B2328838	Certificate of Analysis	Mar 11, 2023	I138877
B2328840	Certificate of Analysis	Mar 08, 2023	I138877
B2328841	Certificate of Analysis	Mar 08, 2023	I138877
B2328842	Certificate of Analysis	Mar 08, 2023	I138877
B2328789	Certificate of Analysis	Mar 08, 2023	I138877
B2328785	Certificate of Analysis	Mar 08, 2023	I138877
B2328701	Certificate of Analysis	Mar 08, 2023	I138877
B2328839	Certificate of Analysis	Mar 08, 2023	I138877

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Chemical and Physical Properties

Sensitivity	light sensitive
Boil Point(°C)	105°/44mm
Molecular Weight	288.010 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	287.926 Da
Monoisotopic Mass	287.926 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	159.000
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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