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2-Methoxyisophthalic acid - 97%, high purity , CAS No.1951-38-8

COA

Grade & Purity:

≥97%

Cas Number: 1951-38-8
Molecular Weight: 196.16
MDL number: MFCD00134097
PubChem CID: 4558811
PubChem SID: 488194903

In stock

Item Number

M466829

Grouped product items
SKU	Size	Availability	Price
M466829-250mg	250mg	3	$24.90
M466829-1g	1g	3	$80.90
M466829-5g	5g	1	$336.90

Basic Description

Synonyms	2-methoxy isophthalic acid \| AKOS015894439 \| BS-15863 \| MFCD00134097 \| BAA95138 \| D71163 \| 2-Methoxyisophthalic acid \| 2-Methoxy-isophthalic Acid \| methoxyisophthalic acid \| SCHEMBL39857 \| SY308208 \| AML0035 \| 2-methoxybenzene-1,3-dicarboxylic Acid \| FT-0
Specifications & Purity	≥97%

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	O-methoxybenzoic acids and derivatives Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Meta_phthalic_acid - O-methoxybenzoic acid or derivatives - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - 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	488194903
IUPAC Name	2-methoxybenzene-1,3-dicarboxylic acid
INCHI	InChI=1S/C9H8O5/c1-14-7-5(8(10)11)3-2-4-6(7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey	ZRWAPLTWCQQSAN-UHFFFAOYSA-N
Smiles	COC1=C(C=CC=C1C(=O)O)C(=O)O
Isomeric SMILES	COC1=C(C=CC=C1C(=O)O)C(=O)O
Molecular Weight	196.16
Reaxy-Rn	2695046
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2695046&ln=

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

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
H2301901	Certificate of Analysis	Jul 08, 2023	M466829
H2301924	Certificate of Analysis	Jul 08, 2023	M466829
H2301894	Certificate of Analysis	Jul 08, 2023	M466829
H2301909	Certificate of Analysis	Jul 08, 2023	M466829
H2301907	Certificate of Analysis	Jul 08, 2023	M466829
H2301904	Certificate of Analysis	Jul 08, 2023	M466829

Chemical and Physical Properties

Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable
Melt Point(°C)	213-215℃ (lit.)
Molecular Weight	196.160 g/mol
XLogP3	0.900
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	215.000
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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