Diethyl dibromomalonate - ≥97% , CAS No.631-22-1

CAS: 631-22-1 Cat. No.: D171255 Molecular Weight: 317.96 EC Number: 211-151-9
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
AKOS005206982 | Diethyl 2,2-dibromomalonate | Malonic acid, dibromo-, diethyl ester | Propanedioic acid, dibromo-, diethyl ester | 2,2-Dibromo-malonic acid diethyl ester | DTXSID6060890 | Propanedioic acid, 2,2-dibromo-, 1,3-diethyl ester | A868241 | C7H1
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
D171255-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$9.90

$14.90
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5g
D171255-5g
4

$17.90

$26.90
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25g
D171255-25g
4

$39.90

$59.90
Save $20.00 (33.39%)
100g
D171255-100g
9

$127.90

$191.90
Save $64.00 (33.35%)
500g
D171255-500g
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$478.90

$718.90
Save $240.00 (33.38%)
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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

Diethyl dibromomalonate reacts with sodium methoxide in cyclohexene to afford dibromonorcarane. It also reacts with allyl(pyridine)cobaloximes to afford the corresponding allyl-substituted esters.

Specifications

Synonyms
AKOS005206982 | Diethyl 2, 2-dibromomalonate | Malonic acid, dibromo-, diethyl ester | Propanedioic acid, dibromo-, diethyl ester | 2, 2-Dibromo-malonic acid diethyl ester | DTXSID6060890 | Propanedioic acid, 2, 2-dibromo-, 1, 3-diethyl ester | A868241 | C7H1
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488184323
Canonical SmilesCCOC(=O)C(C(=O)OCC)(Br)Br
IUPAC Namediethyl 2,2-dibromopropanedioate
InChIKeyPFZYFZRUPFUEOB-UHFFFAOYSA-N
INCHI1S/C7H10Br2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3
Isomeric SMILES CCOC(=O)C(C(=O)OCC)(Br)Br
WGK Germany 3
Molecular Weight 317.96
Reaxy-Rn 1783879
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1783879&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.

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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 Alpha-halocarboxylic acid derivatives  Carboxylic acid esters  Organobromides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl bromides  
Molecular FrameworkAliphatic acyclic compounds
Substituents 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.

12 results found

Lot NumberCertificate TypeDateItem
L2206084Certificate of AnalysisJun 09, 2026 D171255
C2525323Certificate of AnalysisApr 08, 2025 D171255
C2525324Certificate of AnalysisApr 08, 2025 D171255
C2525325Certificate of AnalysisApr 08, 2025 D171255
C2525326Certificate of AnalysisApr 08, 2025 D171255
C2525327Certificate of AnalysisApr 08, 2025 D171255
C2525328Certificate of AnalysisApr 08, 2025 D171255
L2424647Certificate of AnalysisJul 12, 2024 D171255
L2424649Certificate of AnalysisJul 12, 2024 D171255
E1905022Certificate of AnalysisJan 18, 2023 D171255
G2304371Certificate of AnalysisJan 18, 2023 D171255
G2304373Certificate of AnalysisJan 18, 2023 D171255

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Chemical and Physical Properties
Refractive Index1.485
Flash Point(°F)>235.4 °F
Flash Point(°C)>113 °C
Boil Point(°C)108-110℃
Molecular Weight317.960 g/mol
XLogP32.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass317.893 Da
Monoisotopic Mass315.895 Da
Topological Polar Surface Area52.600 Ų
Heavy Atom Count13
Formal Charge0
Complexity183.000
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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