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

CAS: 463976-21-8 Cat. No.: I138877 Molecular Weight: 288.01 EC Number: 961-173-4
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
MB12078 | A1-00120 | SCHEMBL365939 | BCP08794 | FT-0702506 | DS-13738 | AKOS016006410 | Phenol, 2-iodo-4-(trifluoromethyl)- | 2-Iodo-4-Trifluoromethylphenol | 2-IODO-4-TRIFLUOROMETHYL-PHENOL | alpha,alpha,alpha-trifluoro-o-iodo-p-cresol | MFCD12922960 | D
Storage
Store at 2-8°C,Protected from light
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
I138877-100mg
2

$9.90

$14.90
Save $5.00 (33.56%)
250mg
I138877-250mg
2

$14.90

$22.90
Save $8.00 (34.93%)
1g
I138877-1g
2

$17.90

$26.90
Save $9.00 (33.46%)
5g
I138877-5g
2

$88.90

$133.90
Save $45.00 (33.61%)
25g
I138877-25g
2

$443.90

$665.90
Save $222.00 (33.34%)
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Application:

2-Iodo-4-(trifluoromethyl)phenol is an pharmaceutical intermediate and it is an intermediate in organic synthesis.

Specifications

Synonyms
MB12078 | A1-00120 | SCHEMBL365939 | BCP08794 | FT-0702506 | DS-13738 | AKOS016006410 | Phenol, 2-iodo-4-(trifluoromethyl)- | 2-Iodo-4-Trifluoromethylphenol | 2-IODO-4-TRIFLUOROMETHYL-PHENOL | alpha, alpha, alpha-trifluoro-o-iodo-p-cresol | MFCD12922960 | D
Specifications & Purity
≥97%
Storage
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.
Purity
≥97%
Names and Identifiers
Pubchem Sid488197597
Canonical SmilesC1=CC(=C(C=C1C(F)(F)F)I)O
IUPAC Name2-iodo-4-(trifluoromethyl)phenol
InChIKeyMRDCXUYQUSFQKF-UHFFFAOYSA-N
INCHI1S/C7H4F3IO/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,12H
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassTrifluoromethylbenzenes
Intermediate Tree Nodes Not available
Direct ParentTrifluoromethylbenzenes
Alternative Parents O-iodophenols  Iodobenzenes  1-hydroxy-2-unsubstituted benzenoids  Aryl iodides  Organooxygen compounds  Organoiodides  Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





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.

11 results found

Lot NumberCertificate TypeDateItem
B2328837Certificate of AnalysisDec 16, 2024 I138877
C2511107Certificate of AnalysisDec 10, 2024 I138877
B2328836Certificate of AnalysisMar 11, 2023 I138877
B2328838Certificate of AnalysisMar 11, 2023 I138877
B2328701Certificate of AnalysisMar 08, 2023 I138877
B2328785Certificate of AnalysisMar 08, 2023 I138877
B2328789Certificate of AnalysisMar 08, 2023 I138877
B2328839Certificate of AnalysisMar 08, 2023 I138877
B2328840Certificate of AnalysisMar 08, 2023 I138877
B2328841Certificate of AnalysisMar 08, 2023 I138877
B2328842Certificate of AnalysisMar 08, 2023 I138877

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Chemical and Physical Properties
Sensitivitylight sensitive
Boil Point(°C)105°/44mm
Molecular Weight288.010 g/mol
XLogP33.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass287.926 Da
Monoisotopic Mass287.926 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count12
Formal Charge0
Complexity159.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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