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5-Chlorovanillic acid - tech. 90%, high purity , CAS No.62936-23-6

COA

Grade & Purity:

technical grade

≥90%

Cas Number: 62936-23-6
Molecular Weight: 202.6
PubChem CID: 44215

In stock

Item Number

C139113

Grouped product items
SKU	Size	Availability	Price
C139113-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14.90
C139113-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$54.90
C139113-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$234.90
C139113-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$820.90

Discover 5-Chlorovanillic acid by Aladdin Scientific in tech. 90% for only $14.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	62936-23-6 \| 3-CHLORO-4-HYDROXY-5-METHOXYBENZOIC ACID \| 5-CHLOROVANILLIC ACID \| Benzoic acid, 3-chloro-4-hydroxy-5-methoxy- \| MFCD00016531 \| 5-chloro-4-hydroxy-3-methoxybenzoic acid \| 5-CHLOROVANILLICACID \| 69845-52-9 \| NSC45930 \| EINECS 263-766-7 \| 5-chloro-vanillic acid \| 3-
Specifications & Purity	technical grade, ≥90%
Shipped In	Normal
Grade	technical grade

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Methoxybenzoic acids and derivatives
        Level6 M-methoxybenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Methoxybenzoic acids and derivatives
Direct Parent	M-methoxybenzoic acids and derivatives
Alternative Parents	3-halobenzoic acids Methoxyphenols Hydroxybenzoic acid derivatives Halobenzoic acids Benzoic acids Phenoxy compounds O-chlorophenols Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-methoxybenzoic acid or derivatives - Hydroxybenzoic acid - Methoxyphenol - 3-halobenzoic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - Benzoic acid - 2-halophenol - Phenoxy compound - Anisole - 2-chlorophenol - Benzoyl - Phenol ether - Methoxybenzene - Halobenzene - Chlorobenzene - Phenol - Alkyl aryl ether - Aryl chloride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organohalogen compound - Organochloride - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group.
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

IUPAC Name	3-chloro-4-hydroxy-5-methoxybenzoic acid
INCHI	InChI=1S/C8H7ClO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10H,1H3,(H,11,12)
InChIKey	XBRYEHVBBMSSCG-UHFFFAOYSA-N
Smiles	COC1=C(C(=CC(=C1)C(=O)O)Cl)O
Isomeric SMILES	COC1=C(C(=CC(=C1)C(=O)O)Cl)O
Molecular Weight	202.6
Reaxy-Rn	2648897
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2648897&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	202.590 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	202.003 Da
Monoisotopic Mass	202.003 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	197.000
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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