Diethyl bromomalonate - ≥90% , CAS No.685-87-0

CAS: 685-87-0 Cat. No.: D139177 Molecular Weight: 239.06 Beilstein Registry Number: 509768 EC Number: 211-683-1
AVAILABLE TO ORDER
GRADE & PURITY ≥90%
Synonyms
B1205 | EINECS 211-683-1 | Propanedioic acid, bromo-, diethyl ester | BR1275 | InChI=1/C7H11BrO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H | 2-bromo-propanedioic acid diethyl ester | Malonic acid, bromo-, diethyl ester | NSC1985 | NSC-1985 | FT-0624777 |
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100g
D139177-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$29.90

$49.90
Save $20.00 (40.08%)
25g
D139177-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$11.90

$16.90
Save $5.00 (29.59%)
500g
D139177-500g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$122.90

$169.90
Save $47.00 (27.66%)
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Why this grade

≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

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
B1205 | EINECS 211-683-1 | Propanedioic acid, bromo-, diethyl ester | BR1275 | InChI=1/C7H11BrO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H, 3-4H2, 1-2H | 2-bromo-propanedioic acid diethyl ester | Malonic acid, bromo-, diethyl ester | NSC1985 | NSC-1985 | FT-0624777 |
Specifications & Purity
≥90%
Storage
Room temperature
Shipped In
Normal
Purity
≥90%
Names and Identifiers
Canonical SmilesCCOC(=O)C(C(=O)OCC)Br
IUPAC Namediethyl 2-bromopropanedioate
InChIKeyFNJVDWXUKLTFFL-UHFFFAOYSA-N
INCHI1S/C7H11BrO4/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)Br
WGK Germany 3
Molecular Weight 239.06
Beilstein 509768
Reaxy-Rn 509768
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509768&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
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  Organobromides  Organic oxides  Hydrocarbon derivatives  Alkyl bromides  
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 - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - 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.

14 results found

Lot NumberCertificate TypeDateItem
F2528088Certificate of AnalysisJul 12, 2025 D139177
G2522022Certificate of AnalysisJul 12, 2025 D139177
I2509573Certificate of AnalysisJul 07, 2025 D139177
I2509583Certificate of AnalysisJul 07, 2025 D139177
I2509584Certificate of AnalysisJul 07, 2025 D139177
I2519585Certificate of AnalysisJul 07, 2025 D139177
I2519631Certificate of AnalysisJul 07, 2025 D139177
I2522613Certificate of AnalysisJul 07, 2025 D139177
I2522614Certificate of AnalysisJul 07, 2025 D139177
K2426435Certificate of AnalysisJul 10, 2024 D139177
K2118226Certificate of AnalysisSep 14, 2023 D139177
K2118222Certificate of AnalysisSep 14, 2023 D139177
K2118288Certificate of AnalysisSep 14, 2023 D139177
D2313816Certificate of AnalysisOct 30, 2021 D139177

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Chemical and Physical Properties
SolubilityDoes not mix well with water.
Refractive Index1.455
Flash Point(°F)111℃
Flash Point(°C)111 °C
Boil Point(°C)235 °C
Melt Point(°C)233-235℃
Molecular Weight239.060 g/mol
XLogP31.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass237.984 Da
Monoisotopic Mass237.984 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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