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4-Hydroxyisophthalic Acid - >98.0%(HPLC)(T), high purity , CAS No.636-46-4

1 Citations

COA

Grade & Purity:

≥98%(HPLC)(T)

Cas Number: 636-46-4
Molecular Weight: 182.13
Beilstein Registry Number: 10(3)2193
MDL number: MFCD00010391
PubChem CID: 12490
PubChem SID: 488181679

In stock

Item Number

H157025

Grouped product items
SKU	Size	Availability	Price
H157025-1g	1g	5	$13.90
H157025-5g	5g	3	$53.90
H157025-10g	10g	2	$95.90
H157025-25g	25g	5	$193.90
H157025-100g	100g	4	$697.90

View related series

carboxylic acid (2098) Non heterocyclic block (8163)

Basic Description

Synonyms	STL557098 \| W-203364 \| 4-hydroxyisophtalic acid \| NSC2445 \| NSC-2445 \| SALICYLIC ACID IMPURITY B [EP IMPURITY] \| BRN 2211981 \| 1,3-Benzenedicarboxylic acid, 4-hydroxy- \| 4-hydroxyisophthalate \| AKOS000121471 \| 4-10-00-02091 (Beilstein Handbook Reference)
Specifications & Purity	≥98%(HPLC)(T)
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 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	Salicylic acids Benzoic acids Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Vinylogous acids Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Meta_phthalic_acid - Salicylic acid - Salicylic acid or derivatives - Hydroxybenzoic acid - Benzoic acid - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Dicarboxylic acid or derivatives - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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	488181679
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181679
IUPAC Name	4-hydroxybenzene-1,3-dicarboxylic acid
INCHI	InChI=1S/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChIKey	BCEQKAQCUWUNML-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(=O)O)C(=O)O)O
Isomeric SMILES	C1=CC(=C(C=C1C(=O)O)C(=O)O)O
RTECS	NT2544000
Molecular Weight	182.13
Beilstein	10(3)2193
Reaxy-Rn	2211981
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211981&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.

9 results found

Lot Number	Certificate Type	Date	Item
F2124221	Certificate of Analysis	Apr 03, 2025	H157025
G1721029	Certificate of Analysis	Feb 08, 2025	H157025
I2224390	Certificate of Analysis	Jun 24, 2022	H157025
I2224392	Certificate of Analysis	Jun 24, 2022	H157025
G2321070	Certificate of Analysis	Jun 24, 2022	H157025
E2409037	Certificate of Analysis	Jun 24, 2022	H157025
E2529192	Certificate of Analysis	Jun 24, 2022	H157025
G2321052	Certificate of Analysis	Jun 24, 2022	H157025
I2224384	Certificate of Analysis	Jun 24, 2022	H157025

Chemical and Physical Properties

Solubility	Very soluble in Alcohol,Ether
Molecular Weight	182.130 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	182.022 Da
Monoisotopic Mass	182.022 Da
Topological Polar Surface Area	94.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	225.000
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

Citations of This Product

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