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Dimethyl 5-bromoisophthalate - 98%(GC), high purity , CAS No.51760-21-5

COA

Grade & Purity:

≥98%(GC)

Cas Number: 51760-21-5
Molecular Weight: 273.08
Beilstein Registry Number: 2375428
EC Number: 257-386-0
MDL number: MFCD00078709
PubChem CID: 103954
PubChem SID: 504756550

In stock

Item Number

D124383

Grouped product items
SKU	Size	Availability	Price
D124383-1g	1g	3	$23.90
D124383-5g	5g	3	$92.90
D124383-10g	10g	2	$165.90
D124383-25g	25g	2	$339.90
D124383-100g	100g	2	$949.90

View related series

Carboxylic acid ester (65) Non heterocyclic block (8163)

Basic Description

Synonyms	Dimethyl5-bromoisophthalate \| Dimethyl 5-bromobenzene-1,3-dicarboxylate \| 5-bromoisophthalic acid dimethyl ester
Specifications & Purity	≥98%(GC)
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Phthalic acid and derivatives
        Level6 Phthalate esters
        Level7 m-Phthalate esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Phthalic acid and derivatives - Phthalate esters
Direct Parent	m-Phthalate esters
Alternative Parents	M-phthalic acid and derivatives Benzoic acid esters 3-halobenzoic acids and derivatives Benzoyl derivatives Bromobenzenes Dicarboxylic acids and derivatives Aryl bromides Methyl esters Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Meta-phthalic acid ester - Meta_phthalic_acid - Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.
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	504756550
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756550
IUPAC Name	dimethyl 5-bromobenzene-1,3-dicarboxylate
INCHI	InChI=1S/C10H9BrO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3
InChIKey	QUJINGKSNJNXEB-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC(=CC(=C1)Br)C(=O)OC
Isomeric SMILES	COC(=O)C1=CC(=CC(=C1)Br)C(=O)OC
WGK Germany	3
Molecular Weight	273.08
Beilstein	2375428
Reaxy-Rn	2375428
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2375428&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.

11 results found

Lot Number	Certificate Type	Date	Item
J1624033	Certificate of Analysis	Jun 06, 2024	D124383
F2424160	Certificate of Analysis	Apr 30, 2024	D124383
F2424162	Certificate of Analysis	Apr 30, 2024	D124383
F2424159	Certificate of Analysis	Apr 30, 2024	D124383
F2424161	Certificate of Analysis	Apr 30, 2024	D124383
F2424163	Certificate of Analysis	Apr 30, 2024	D124383
D2518070	Certificate of Analysis	Apr 30, 2024	D124383
D1809152	Certificate of Analysis	Feb 21, 2022	D124383
D1809153	Certificate of Analysis	Feb 21, 2022	D124383
F2320059	Certificate of Analysis	Sep 09, 2021	D124383
D2303325	Certificate of Analysis	Sep 09, 2021	D124383

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Chemical and Physical Properties

Solubility	Insoluble in water.
Sensitivity	Air sensitive
Boil Point(°C)	159°C/0.4mmHg
Melt Point(°C)	87-91°C
Molecular Weight	273.080 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	271.968 Da
Monoisotopic Mass	271.968 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	230.000
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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