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5-(4-Chlorophenyl)-2-furoic acid - 97%, high purity , CAS No.41019-45-8

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5-(4-Chlorophenyl)-2-furoic acid - 97%, high purity , CAS No.41019-45-8

COA

Grade & Purity:

≥97%

Cas Number: 41019-45-8
Molecular Weight: 222.62
MDL number: MFCD00216587
PubChem CID: 726693
PubChem SID: 504760004

In stock

Item Number

C170221

Grouped product items
SKU	Size	Availability	Price
C170221-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$17.90
C170221-1g	1g	2	$59.90
C170221-5g	5g	1	$208.90

Basic Description

Synonyms	5-(4-Chlorophenyl)-2-furoic acid \| 41019-45-8 \| 5-(4-chlorophenyl)furan-2-carboxylic Acid \| CHEMBL197430 \| 5-(4-Chloro-phenyl)-furan-2-carboxylic acid \| 2-Furancarboxylic acid, 5-(4-chlorophenyl)- \| Acid, 62 \| 5-(p-chlorophenyl)furoic acid \| 5-(4-chlorophenyl)furoic acid
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	It is a 5-aryl-2-furancarboxylic acid. It has been synthesized by oxidation of the corresponding furaldehyde with silver nitrate and sodium hydroxide. It serves as an intermediate for the synthesis of 5-(5-aryl-2-furyl)-tetrazol-1-ylacetic acids, which are employed in the synthesis of semisynthetic cephalosporines.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Furans
    - Subclass Furoic acid and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Furans
Subclass	Furoic acid and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Furoic acids
Alternative Parents	Chlorobenzenes Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Furoic acid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organooxygen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.
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

Associated Targets(non-human)

map Methionine aminopeptidase (444 Activities)

Discover Target: map

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504760004
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760004
IUPAC Name	5-(4-chlorophenyl)furan-2-carboxylic acid
INCHI	InChI=1S/C11H7ClO3/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKey	XIPQHWUSDHTXOO-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=CC=C(O2)C(=O)O)Cl
Isomeric SMILES	C1=CC(=CC=C1C2=CC=C(O2)C(=O)O)Cl
WGK Germany	3
Molecular Weight	222.62
Reaxy-Rn	156911
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=156911&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
K2313064	Certificate of Analysis	Sep 04, 2023	C170221
K1907142	Certificate of Analysis	Sep 04, 2023	C170221
J2222031	Certificate of Analysis	Nov 04, 2022	C170221

Chemical and Physical Properties

Melt Point(°C)	198-201°C
Molecular Weight	222.620 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	222.008 Da
Monoisotopic Mass	222.008 Da
Topological Polar Surface Area	50.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	236.000
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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