Diethyl fluoromalonate - ≥97% , CAS No.685-88-1

CAS: 685-88-1 Cat. No.: D139178 Molecular Weight: 178.16 Beilstein Registry Number: 1775686 EC Number: 211-684-7
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
BBL100643 | diethylfluoromalonate | diethyl-fluoromalonate | MALONIC ACID, FLUORO-, DIETHYL ESTER | C7H11FO4 | 2-fluoro malonic acid diethyl ester | SCHEMBL223479 | AKOS005063390 | NSC 521723 | STL554437 | BRN 1775686 | AM20100635 | F0283 | FLUOROPROPANED
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
D139178-1g
3
$9.90
5g
D139178-5g
2
$10.90
10g
D139178-10g
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$11.90
25g
D139178-25g
2

$13.90

$20.90
Save $7.00 (33.49%)
100g
D139178-100g
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$41.90

$62.90
Save $21.00 (33.39%)
500g
D139178-500g
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$146.90

$220.90
Save $74.00 (33.50%)
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Why this grade

≥97% 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.

Overview

The reaction of diethyl fluoromalonate with electron-poor and electron-rich, sterically hindered and unhindered aryl bromides and chlorides were studied.
The kinetic parameters of diethyl fluoromalonate in hemolysates were used to study carboxylesterase activities in complex systems.

Specifications

Synonyms
BBL100643 | diethylfluoromalonate | diethyl-fluoromalonate | MALONIC ACID, FLUORO-, DIETHYL ESTER | C7H11FO4 | 2-fluoro malonic acid diethyl ester | SCHEMBL223479 | AKOS005063390 | NSC 521723 | STL554437 | BRN 1775686 | AM20100635 | F0283 | FLUOROPROPANED
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesCCOC(=O)C(C(=O)OCC)F
IUPAC Namediethyl 2-fluoropropanedioate
InChIKeyGOWQBFVDZPZZFA-UHFFFAOYSA-N
INCHI1S/C7H11FO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
Isomeric SMILES CCOC(=O)C(C(=O)OCC)F
WGK Germany 3
RTECS OO1670000
Molecular Weight 178.16
Beilstein 1775686
Reaxy-Rn 1775686
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1775686&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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassDicarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentDicarboxylic acids and derivatives
Alternative Parents 1,3-dicarbonyl compounds  Alpha-halocarboxylic acid derivatives  Carboxylic acid esters  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAliphatic acyclic compounds
Substituents 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid 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.

9 results found

Lot NumberCertificate TypeDateItem
E1702026Certificate of AnalysisJun 15, 2026 D139178
I2409392Certificate of AnalysisJun 11, 2026 D139178
I2407186Certificate of AnalysisJun 11, 2026 D139178
D2422224Certificate of AnalysisFeb 05, 2026 D139178
C2201130Certificate of AnalysisSep 09, 2025 D139178
I2409011Certificate of AnalysisJul 17, 2024 D139178
D2422225Certificate of AnalysisMar 25, 2024 D139178
C2202096Certificate of AnalysisDec 12, 2023 D139178
C2202097Certificate of AnalysisDec 12, 2023 D139178
Chemical and Physical Properties
Refractive Index1.41
Flash Point(°F)143.6 °F
Flash Point(°C)62 °C
Boil Point(°C)122 °C/30 mmHg
Molecular Weight178.160 g/mol
XLogP30.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass178.064 Da
Monoisotopic Mass178.064 Da
Topological Polar Surface Area52.600 Ų
Heavy Atom Count12
Formal Charge0
Complexity151.000
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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