Ethyl iodofluoroacetate - ≥98% , CAS No.401-58-1

CAS: 401-58-1 Cat. No.: E331038 Molecular Weight: 231.99 EC Number: 671-171-2
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
EN300-7596625 | Acetic acid, fluoroiodo-, ethyl ester | FS-4661 | Ethyl 2-fluoro-2-iodoethanoate | Fluoroiodoacetic acid ethyl ester | FT-0676351 | Ethyl fluoroiodoacetate | MFCD01320733 | Ethyl iodofluoroacetate | SCHEMBL21828655 | F70023 | C4H6FIO2 | DT
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
E331038-1g
5
$94.90
5g
E331038-5g
8
$288.90
25g
E331038-25g
3
$1,029.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% 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
EN300-7596625 | Acetic acid, fluoroiodo-, ethyl ester | FS-4661 | Ethyl 2-fluoro-2-iodoethanoate | Fluoroiodoacetic acid ethyl ester | FT-0676351 | Ethyl fluoroiodoacetate | MFCD01320733 | Ethyl iodofluoroacetate | SCHEMBL21828655 | F70023 | C4H6FIO2 | DT
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488192873
Canonical SmilesCCOC(=O)C(F)I
IUPAC Nameethyl 2-fluoro-2-iodoacetate
InChIKeyHEEACDPQRCJXKT-UHFFFAOYSA-N
INCHI1S/C4H6FIO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
Isomeric SMILES CCOC(=O)C(F)I
Molecular Weight 231.99
Reaxy-Rn 1701921
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1701921&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
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAlpha-halocarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentAlpha-halocarboxylic acid derivatives
Alternative Parents Carboxylic acid esters  Monocarboxylic acids and derivatives  Organoiodides  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl iodides  Alkyl fluorides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl iodide - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alpha-halocarboxylic acid derivatives. These are carboxylic acid derivatives containing a halogen atom bonded to the alpha carbon 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
G2313193Certificate of AnalysisApr 07, 2026 E331038
F2222582Certificate of AnalysisApr 02, 2025 E331038
F2222583Certificate of AnalysisApr 02, 2025 E331038
F2222590Certificate of AnalysisApr 02, 2025 E331038
L2420167Certificate of AnalysisJun 05, 2022 E331038
Chemical and Physical Properties
Boil Point(°C)43° C at 3 mmHg
Molecular Weight231.990 g/mol
XLogP31.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass231.94 Da
Monoisotopic Mass231.94 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count8
Formal Charge0
Complexity86.100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
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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