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Dimethyl 4,5-dibromophthalate - 98%, high purity , CAS No.859299-66-4

COA

Grade & Purity:

≥98%

Cas Number: 859299-66-4
Molecular Weight: 351.98
PubChem CID: 71669667
PubChem SID: 488202279

In stock

Item Number

D491465

Grouped product items
SKU	Size	Availability	Price
D491465-100mg	100mg	2	$26.90
D491465-250mg	250mg	2	$50.90
D491465-1g	1g	2	$102.90
D491465-5g	5g	2	$384.90
D491465-10g	10g	1	$692.90
D491465-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,346.90

Basic Description

Synonyms	Dimethyl 4,5-dibromophthalate \| 859299-66-4 \| 4,5-dibromophthalic Acid Dimethyl Ester \| dimethyl 4,5-dibromobenzene-1,2-dicarboxylate \| 1,2-BENZENEDICARBOXYLIC ACID,4,5-DIBROMO-,1,2-DIMETHYL ESTER \| Dimethyl4,5-dibromophthalate \| SCHEMBL23051540 \| DTXSID801334084 \| MFCD1
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	4-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzoyl derivatives Bromobenzenes Aryl bromides Methyl esters Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
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

Pubchem Sid	488202279
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488202279
IUPAC Name	dimethyl 4,5-dibromobenzene-1,2-dicarboxylate
INCHI	InChI=1S/C10H8Br2O4/c1-15-9(13)5-3-7(11)8(12)4-6(5)10(14)16-2/h3-4H,1-2H3
InChIKey	IYUAQOPKHCZEKX-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC(=C(C=C1C(=O)OC)Br)Br
Isomeric SMILES	COC(=O)C1=CC(=C(C=C1C(=O)OC)Br)Br
Molecular Weight	351.98
Reaxy-Rn	2276886
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2276886&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.

13 results found

Lot Number	Certificate Type	Date	Item
A23311010	Certificate of Analysis	Nov 09, 2022	D491465
A23311003	Certificate of Analysis	Nov 09, 2022	D491465
A23311026	Certificate of Analysis	Nov 09, 2022	D491465
A23311012	Certificate of Analysis	Nov 09, 2022	D491465
A23311013	Certificate of Analysis	Nov 09, 2022	D491465
A2331986	Certificate of Analysis	Nov 09, 2022	D491465
A23311008	Certificate of Analysis	Aug 22, 2022	D491465
A2331987	Certificate of Analysis	Aug 22, 2022	D491465
A23311011	Certificate of Analysis	Aug 22, 2022	D491465
A2331959	Certificate of Analysis	Aug 22, 2022	D491465
C2519769	Certificate of Analysis	Aug 22, 2022	D491465
A23311007	Certificate of Analysis	Aug 22, 2022	D491465
A23311009	Certificate of Analysis	Aug 22, 2022	D491465

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Chemical and Physical Properties

Molecular Weight	351.980 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	351.877 Da
Monoisotopic Mass	349.879 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	254.000
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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