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2-Chloro-3,4-dimethoxybenzoic acid - 97%, high purity , CAS No.52009-53-7

COA

Grade & Purity:

≥97%

Cas Number: 52009-53-7
Molecular Weight: 216.62
MDL number: MFCD00084944
PubChem CID: 2774976
PubChem SID: 488193617

In stock

Item Number

C170761

Grouped product items
SKU	Size	Availability	Price
C170761-1g	1g	3	$54.90
C170761-5g	5g	5	$209.90
C170761-25g	25g	5	$940.90

Discover 2-Chloro-3,4-dimethoxybenzoic acid by Aladdin Scientific in 97% for only $54.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-Chloro-3,4-dimethoxybenzoic acid \| 52009-53-7 \| 2-Chloro-3,4,-dimethoxybenzoic acid \| 2-chloro-3,4-dimethoxy-benzoic acid \| MFCD00084944 \| Maybridge1_001936 \| SCHEMBL2817995 \| HMS546P22 \| DTXSID00379309 \| YSEIYOHXERRMNN-UHFFFAOYSA-N \| AMY31024 \| CCG-56505 \| AKOS009157530 \| SY028
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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 P-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	P-methoxybenzoic acids and derivatives
Alternative Parents	M-methoxybenzoic acids and derivatives 2-halobenzoic acids Halobenzoic acids Dimethoxybenzenes Benzoic acids 1-carboxy-2-haloaromatic compounds Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous halides Monocarboxylic acids and derivatives Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid - Benzoyl - Phenoxy compound - 1-carboxy-2-haloaromatic compound - Phenol ether - Methoxybenzene - Anisole - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Vinylogous 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 p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 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

Pubchem Sid	488193617
IUPAC Name	2-chloro-3,4-dimethoxybenzoic acid
INCHI	InChI=1S/C9H9ClO4/c1-13-6-4-3-5(9(11)12)7(10)8(6)14-2/h3-4H,1-2H3,(H,11,12)
InChIKey	YSEIYOHXERRMNN-UHFFFAOYSA-N
Smiles	COC1=C(C(=C(C=C1)C(=O)O)Cl)OC
Isomeric SMILES	COC1=C(C(=C(C=C1)C(=O)O)Cl)OC
WGK Germany	3
Molecular Weight	216.62
Reaxy-Rn	2971192
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2971192&ln=

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

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6 results found

Lot Number	Certificate Type	Date	Item
E2326621	Certificate of Analysis	May 10, 2023	C170761
E2326623	Certificate of Analysis	May 10, 2023	C170761
E2326625	Certificate of Analysis	May 10, 2023	C170761
E2326622	Certificate of Analysis	May 10, 2023	C170761
E2326628	Certificate of Analysis	May 10, 2023	C170761
E2326624	Certificate of Analysis	May 10, 2023	C170761

Chemical and Physical Properties

Melt Point(°C)	200-204 °C
Molecular Weight	216.620 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	216.019 Da
Monoisotopic Mass	216.019 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	209.000
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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