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2-Chloro-4-hydroxybenzoic Acid Hydrate - >98.0%(GC), high purity , CAS No.56363-84-9

COA

Grade & Purity:

≥98%(GC)

Cas Number: 56363-84-9
Molecular Weight: 172.57
Beilstein Registry Number: 10(3)360
MDL number: MFCD00045855
PubChem CID: 91821
PubChem SID: 504756092

In stock

Item Number

C123874

Grouped product items
SKU	Size	Availability	Price
C123874-1g	1g	3	$59.90
C123874-5g	5g	7	$179.90
C123874-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$323.90
C123874-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$727.90

View related series

Non heterocyclic block (8163) phenol (506)

Basic Description

Synonyms	FT-0611778 \| AC-2566 \| EINECS 260-132-1 \| SCHEMBL945711 \| C2349 \| WIPYZRZPNMUSER-UHFFFAOYSA- \| AKOS009156805 \| InChI=1/C7H5ClO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9H,(H,10,11) \| EN300-115793 \| 2-CHLORO-4-HYROXYBENZOIC ACID \| 2-Chloro-4-hydroxybenzoic acid \|
Specifications & Purity	≥98%(GC)
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	Halobenzoic acids 2-halobenzoic acids Benzoic acids M-chlorophenols Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous halides Monocarboxylic acids and derivatives Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hydroxybenzoic acid - Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid - 3-chlorophenol - 3-halophenol - Benzoyl - 1-carboxy-2-haloaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Phenol - Aryl halide - Aryl chloride - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - 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	504756092
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756092
IUPAC Name	2-chloro-4-hydroxybenzoic acid
INCHI	InChI=1S/C7H5ClO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)
InChIKey	WIPYZRZPNMUSER-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1O)Cl)C(=O)O
Isomeric SMILES	C1=CC(=C(C=C1O)Cl)C(=O)O
Molecular Weight	172.57
Beilstein	10(3)360
Reaxy-Rn	3247360
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3247360&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
H1605033	Certificate of Analysis	Apr 02, 2024	C123874
F23061403	Certificate of Analysis	Jan 06, 2022	C123874
B2218083	Certificate of Analysis	Jan 06, 2022	C123874
B2218082	Certificate of Analysis	Jan 06, 2022	C123874
B2218088	Certificate of Analysis	Jan 06, 2022	C123874

Chemical and Physical Properties

Solubility	Soluble in Methanol
Melt Point(°C)	159°C
Molecular Weight	172.560 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	171.993 Da
Monoisotopic Mass	171.993 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	160.000
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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