4-Iodo-2,5-dimethylphenol - ≥95% , CAS No.114971-53-8

CAS: 114971-53-8 Cat. No.: I343173 Molecular Weight: 248.06 EC Number: 678-803-6
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GRADE & PURITY ≥95%
Synonyms
Phenol,4-iodo-2,5-dimethyl- | RFAXNKKOQUYDKE-UHFFFAOYSA-N | AKOS015910535 | AS-46169 | J-003164 | MFCD00219922 | 4-iodo-2,5-dimethylphenol | 4-iodo-2,5-dimethyl-phenol | CL9013 | 2,5-Dimethyl-4-iodophenol | SCHEMBL2589677 | FT-0618764 | 4-Iodo-2,5-xylenol
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
200mg
I343173-200mg
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I343173-1g
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
Phenol, 4-iodo-2, 5-dimethyl- | RFAXNKKOQUYDKE-UHFFFAOYSA-N | AKOS015910535 | AS-46169 | J-003164 | MFCD00219922 | 4-iodo-2, 5-dimethylphenol | 4-iodo-2, 5-dimethyl-phenol | CL9013 | 2, 5-Dimethyl-4-iodophenol | SCHEMBL2589677 | FT-0618764 | 4-Iodo-2, 5-xylenol
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Canonical SmilesCC1=CC(=C(C=C1I)C)O
IUPAC Name4-iodo-2,5-dimethylphenol
InChIKeyRFAXNKKOQUYDKE-UHFFFAOYSA-N
INCHI1S/C8H9IO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,1-2H3
Isomeric SMILES CC1=CC(=C(C=C1I)C)O
Molecular Weight 248.06
Reaxy-Rn 3235787
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3235787&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassXylenes
Intermediate Tree Nodes Xylenols
Direct Parentp-Xylenols
Alternative Parents p-Xylenes  P-iodophenols  Ortho cresols  Meta cresols  Iodobenzenes  1-hydroxy-2-unsubstituted benzenoids  Aryl iodides  Organooxygen compounds  Organoiodides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents P-xylenol - P-xylene - 4-iodophenol - O-cresol - 4-halophenol - M-cresol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Organic oxygen compound - Organohalogen compound - Organoiodide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as p-xylenols. These are aromatic compounds that contain a p-xylenol moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions, and at least one hydroxyl group.
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.

1 results found

Lot NumberCertificate TypeDateItem
J2414379Certificate of AnalysisApr 26, 2024 I343173
Chemical and Physical Properties
Molecular Weight248.060 g/mol
XLogP32.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass247.97 Da
Monoisotopic Mass247.97 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count10
Formal Charge0
Complexity116.000
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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