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Ethyl dibromoacetate - 98%, high purity , CAS No.617-33-4

COA

Grade & Purity:

≥98%

Cas Number: 617-33-4
Molecular Weight: 245.9
PubChem CID: 69237

In stock

Item Number

E331036

Grouped product items
SKU	Size	Availability	Price
E331036-1g	1g	3	$29.90
E331036-5g	5g	3	$114.90
E331036-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$513.90

Basic Description

Synonyms	Acetic acid, dibromo-, ethyl ester \| U57B34JKE5 \| MFCD00041718 \| AKOS028108567 \| SY026437 \| ethyl 2,2-dibromoacetate \| E78217 \| dibromo-acetic acid ethyl ester \| EN300-6481078 \| ethyldibromoacetate \| SCHEMBL297369 \| EINECS 210-510-7 \| NSC8830 \| NSC-8830 \|
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	Application： Ethyl dibromoacetate can be used to produce diphenoxy-acetic acid ethyl ester. It is used in organic synthesis.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Alpha-halocarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Alpha-halocarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Alpha-halocarboxylic acid derivatives
Alternative Parents	Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 alpha-halocarboxylic acid derivatives. These are carboxylic acid derivatives containing a halogen atom bonded to the alpha carbon atom.
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	ethyl 2,2-dibromoacetate
INCHI	InChI=1S/C4H6Br2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
InChIKey	NIJGVVHCUXNSLL-UHFFFAOYSA-N
Smiles	CCOC(=O)C(Br)Br
Isomeric SMILES	CCOC(=O)C(Br)Br
Molecular Weight	245.9
Reaxy-Rn	1749091
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749091&ln=

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.

3 results found

Lot Number	Certificate Type	Date	Item
I2328310	Certificate of Analysis	Sep 15, 2023	E331036
I2328308	Certificate of Analysis	Sep 15, 2023	E331036
I2328309	Certificate of Analysis	Sep 15, 2023	E331036

Chemical and Physical Properties

Solubility	Soluble in hexane, ether, CH2Cl2, acetone, EtOAc, ethanol.
Refractive Index	1.4990
Boil Point(°C)	76-78° C at 12 mmHg
Molecular Weight	245.900 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	245.871 Da
Monoisotopic Mass	243.873 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	82.100
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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