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2,4,6-Trihydroxybenzoic acid monohydrate - 95%, high purity , CAS No.71989-93-0

COA

Grade & Purity:

≥95%

Cas Number: 71989-93-0
Molecular Weight: 188.13
Beilstein Registry Number: 2212148
EC Number: 201-467-5
MDL number: MFCD00002453
PubChem CID: 2723793
PubChem SID: 488192193

In stock

Item Number

T107277

Grouped product items
SKU	Size	Availability	Price
T107277-5g	5g	9	$19.90
T107277-25g	25g	8	$55.90
T107277-100g	100g	1	$198.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	AKOS005259190 \| Benzoic acid, 2,4,6-trihydroxy-, monohydrate \| GS-3666 \| 2,4,6-Trihydroxybenzoic acid monohydrate, technical grade, 90%, predominantly 1,3,5-benzenetriol \| 2,4,6-trihydroxybenzoic acid;hydrate \| 2,4,6-trihydroxybenzoic acid hydrate \| SCHEM
Specifications & Purity	≥95%
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	Hydroxybenzoic acid derivatives
Alternative Parents	Salicylic acids Phloroglucinols and derivatives Benzoic acids Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trihydroxybenzoic acid - Hydroxybenzoic acid - Salicylic acid - Salicylic acid or derivatives - Benzenetriol - Benzoic acid - Phloroglucinol derivative - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Monocarboxylic acid or derivatives - Polyol - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
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	488192193
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488192193
IUPAC Name	2,4,6-trihydroxybenzoic acid;hydrate
INCHI	InChI=1S/C7H6O5.H2O/c8-3-1-4(9)6(7(11)12)5(10)2-3;/h1-2,8-10H,(H,11,12);1H2
InChIKey	HWZIRFCGHAROOI-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1O)C(=O)O)O)O.O
Isomeric SMILES	C1=C(C=C(C(=C1O)C(=O)O)O)O.O
WGK Germany	3
RTECS	DH8910000
Alternate CAS	83-30-7
PubChem CID	2723793
Molecular Weight	188.13
Beilstein	2212148

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.

7 results found

Lot Number	Certificate Type	Date	Item
C1706008	Certificate of Analysis	Oct 21, 2024	T107277
L2215384	Certificate of Analysis	Oct 12, 2022	T107277
L2215385	Certificate of Analysis	Oct 12, 2022	T107277
L2215386	Certificate of Analysis	Oct 12, 2022	T107277
E2305819	Certificate of Analysis	Oct 12, 2022	T107277
E2304536	Certificate of Analysis	May 10, 2021	T107277
E2325093	Certificate of Analysis	May 10, 2021	T107277

Chemical and Physical Properties

Solubility	Slightly soluble in water, soluble in methanol.
Melt Point(°C)	210°C
Molecular Weight	188.130 g/mol
XLogP3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	188.032 Da
Monoisotopic Mass	188.032 Da
Topological Polar Surface Area	99.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	169.000
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	2

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