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

COA

Grade & Purity:

≥90%

Cas Number: 685-87-0
Molecular Weight: 239.06
Beilstein Registry Number: 509768
EC Number: 211-683-1
MDL number: MFCD00009138
PubChem CID: 69637

In stock

Item Number

D139177

Grouped product items
SKU	Size	Availability	Price
D139177-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$165.90
D139177-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$68.90
D139177-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$494.90

Discover Diethyl bromomalonate by Aladdin Scientific in ≥90% for only $68.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

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%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Dicarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Dicarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Dicarboxylic acids and derivatives
Alternative Parents	1,3-dicarbonyl compounds Alpha-halocarboxylic acid derivatives Carboxylic acid esters Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aliphatic 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
Description	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	diethyl 2-bromopropanedioate
INCHI	InChI=1S/C7H11BrO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
InChIKey	FNJVDWXUKLTFFL-UHFFFAOYSA-N
Smiles	CCOC(=O)C(C(=O)OCC)Br
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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
F2528088	Certificate of Analysis	Jul 12, 2025	D139177
K2426435	Certificate of Analysis	Jul 10, 2024	D139177
K2118226	Certificate of Analysis	Sep 14, 2023	D139177
K2118222	Certificate of Analysis	Sep 14, 2023	D139177
K2118288	Certificate of Analysis	Sep 14, 2023	D139177
D2313816	Certificate of Analysis	Oct 30, 2021	D139177

Chemical and Physical Properties

Solubility	Does not mix well with water.
Refractive Index	1.455
Flash Point(°F)	111℃
Flash Point(°C)	111 °C
Boil Point(°C)	235 °C
Melt Point(°C)	233-235℃
Molecular Weight	239.060 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	237.984 Da
Monoisotopic Mass	237.984 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	151.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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