Perfluoro-tert-butyl iodide - ≥95% , CAS No.4459-18-1

CAS: 4459-18-1 Cat. No.: B300256 Molecular Weight: 345.93 EC Number: 812-772-3
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
Iodononafluoro-t-butane|4459-18-1|perfluoro-tert-butyl iodide|Perfluoro-t-butyliodide|1,1,1,3,3,3-hexafluoro-2-iodo-2-(trifluoromethyl)propane|4-Nitrophenylboronicacid|perfluoro-t-butyl iodide|CI(CF3)3|SCHEMBL1921501|DTXSID00196230|Tris(trifluoromethyl)me
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
B300256-250mg
2

$211.90

$248.90
Save $37.00 (14.87%)
1g
B300256-1g
2

$588.90

$687.90
Save $99.00 (14.39%)
5g
B300256-5g
2

$1,853.90

$2,404.90
Save $551.00 (22.91%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

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

🌡

Storage & shipping

Room temperature Ships Normal 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.

Specifications

Synonyms
Iodononafluoro-t-butane | 4459-18-1 | perfluoro-tert-butyl iodide | Perfluoro-t-butyliodide | 1, 1, 1, 3, 3, 3-hexafluoro-2-iodo-2-(trifluoromethyl)propane | 4-Nitrophenylboronicacid | perfluoro-t-butyl iodide | CI(CF3)3 | SCHEMBL1921501 | DTXSID00196230 | Tris(trifluoromethyl)me
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Pubchem Sid504757151
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504757151
Canonical SmilesC(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)I
IUPAC Name1,1,1,3,3,3-hexafluoro-2-iodo-2-(trifluoromethyl)propane
InChIKeyWIKBZUXHNPONPP-UHFFFAOYSA-N
INCHI1S/C4F9I/c5-2(6,7)1(14,3(8,9)10)4(11,12)13
Isomeric SMILES C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)I
Molecular Weight 345.93
Reaxy-Rn 1909694
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909694&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.

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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
SuperclassOrganohalogen compounds
ClassOrganoiodides
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentOrganoiodides
Alternative Parents Organofluorides  Hydrocarbon derivatives  Alkyl iodides  Alkyl fluorides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Hydrocarbon derivative - Organoiodide - Organofluoride - Alkyl iodide - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as organoiodides. These are compounds containing a chemical bond between a carbon atom and an iodine atom.
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.

5 results found

Lot NumberCertificate TypeDateItem
C2627160Certificate of AnalysisApr 09, 2026 B300256
B2306476Certificate of AnalysisNov 19, 2024 B300256
B2306496Certificate of AnalysisNov 19, 2024 B300256
B2306516Certificate of AnalysisNov 19, 2024 B300256
B2527109Certificate of AnalysisNov 19, 2024 B300256
Chemical and Physical Properties
Melt Point(°C)58-60
Molecular Weight345.930 g/mol
XLogP34.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Exact Mass345.89 Da
Monoisotopic Mass345.89 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count14
Formal Charge0
Complexity170.000
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
Reviews

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