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2-Chloro-4-methoxybenzoic acid - 98%, high purity , CAS No.21971-21-1

COA

Grade & Purity:

≥98%

Cas Number: 21971-21-1
Molecular Weight: 186.59
MDL number: MFCD00085943
PubChem CID: 12648026
PubChem SID: 488198202

In stock

Item Number

C123875

Grouped product items
SKU	Size	Availability	Price
C123875-1g	1g	3	$31.90
C123875-5g	5g	3	$102.90
C123875-25g	25g	4	$461.90
C123875-100g	100g	2	$1,662.90

View related series

carboxylic acid (2098) Non heterocyclic block (8163)

Basic Description

Synonyms	STL557172 \| Benzoic acid, 2-chloro-4-methoxy- \| AM83993 \| BBL103362 \| A4708 \| 2-Chloranissaure \| AKOS008135477 \| AC-243 \| J-508693 \| DTXSID50505616 \| 2-chloro-4-(methyloxy)benzoic acid \| SCHEMBL295414 \| FT-0650266 \| IBANGHTVBPZCHF-UHFFFAOYSA-N \| CL8037 \|
Specifications & Purity	≥98%
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	Halobenzoic acids 2-halobenzoic acids Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles 1-carboxy-2-haloaromatic compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-methoxybenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - Phenoxy compound - Phenol ether - 1-carboxy-2-haloaromatic compound - Anisole - Methoxybenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Ether - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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	488198202
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488198202
IUPAC Name	2-chloro-4-methoxybenzoic acid
INCHI	InChI=1S/C8H7ClO3/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
InChIKey	IBANGHTVBPZCHF-UHFFFAOYSA-N
Smiles	COC1=CC(=C(C=C1)C(=O)O)Cl
Isomeric SMILES	COC1=CC(=C(C=C1)C(=O)O)Cl
Molecular Weight	186.59
Reaxy-Rn	2719313
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2719313&ln=

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

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Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
D1613014	Certificate of Analysis	Dec 14, 2023	C123875
G23111119	Certificate of Analysis	May 10, 2023	C123875
G23111116	Certificate of Analysis	May 10, 2023	C123875
G23111125	Certificate of Analysis	May 10, 2023	C123875
G23111040	Certificate of Analysis	May 10, 2023	C123875
G23111237	Certificate of Analysis	May 10, 2023	C123875
G23111101	Certificate of Analysis	May 10, 2023	C123875
G23111114	Certificate of Analysis	May 10, 2023	C123875

Chemical and Physical Properties

Melt Point(°C)	212 °C
Molecular Weight	186.590 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	186.008 Da
Monoisotopic Mass	186.008 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172.000
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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