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4-Methoxyisophthalic acid - 97%, high purity , CAS No.2206-43-1

COA

Grade & Purity:

≥97%

Cas Number: 2206-43-1
Molecular Weight: 196.16
PubChem CID: 75152
PubChem SID: 504754918

In stock

Item Number

M168691

Grouped product items
SKU	Size	Availability	Price
M168691-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$229.90
M168691-25g	25g	3	$1,034.90
M168691-100g	100g	3	$3,724.90
M168691-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$16,759.90

Basic Description

Synonyms	AKOS005146551 \| EINECS 218-618-6 \| UNII-444QLG5YMS \| SCHEMBL901309 \| 4-methoxybenzene-1,3-dicarboxylic acid \| W12599 \| NSC20694 \| NSC-20694 \| Picotamide impurity A, European Pharmacopoeia (EP) Reference Standard \| 4-Methoxyisophthalic acid, 97% \| 4-methox
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	Product Describtion: 4-Methoxyisophthalic acid can be prepared by employing the following as a starting material: its dimethyl analog ；p-cresol；4-methoxy-m-xylene；3-methyl-4-methoxybenzyl chloride

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 M-phthalic acid and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Phthalic acid and derivatives
Direct Parent	M-phthalic acid and derivatives
Alternative Parents	P-methoxybenzoic acids and derivatives O-methoxybenzoic acids and derivatives Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Meta_phthalic_acid - O-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Dicarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.
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	504754918
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754918
IUPAC Name	4-methoxybenzene-1,3-dicarboxylic acid
INCHI	InChI=1S/C9H8O5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey	JIICYHFLIOGGHE-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C=C1)C(=O)O)C(=O)O
Isomeric SMILES	COC1=C(C=C(C=C1)C(=O)O)C(=O)O
WGK Germany	3
Molecular Weight	196.16
Reaxy-Rn	2109601
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2109601&ln=

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

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8 results found

Lot Number	Certificate Type	Date	Item
I2008065	Certificate of Analysis	Jul 16, 2024	M168691
I2008066	Certificate of Analysis	Jul 16, 2024	M168691
I2008067	Certificate of Analysis	Jul 16, 2024	M168691
F2406053	Certificate of Analysis	Dec 28, 2021	M168691
B2219291	Certificate of Analysis	Dec 28, 2021	M168691
B2219297	Certificate of Analysis	Dec 28, 2021	M168691
B2219296	Certificate of Analysis	Dec 28, 2021	M168691
B2219288	Certificate of Analysis	Dec 28, 2021	M168691

Chemical and Physical Properties

Melt Point(°C)	258-263 °C
Molecular Weight	196.160 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	196.037 Da
Monoisotopic Mass	196.037 Da
Topological Polar Surface Area	83.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	237.000
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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