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5-(4-Fluorophenyl)thiophene-2-carboxylic Acid - 98%, high purity , CAS No.115933-30-7

COA

Grade & Purity:

≥98%

Cas Number: 115933-30-7
Molecular Weight: 222.23
MDL number: MFCD01316570
PubChem CID: 1873401
PubChem SID: 488192018

In stock

Item Number

F156680

Grouped product items
SKU	Size	Availability	Price
F156680-250mg	250mg	3	$18.90
F156680-1g	1g	5	$57.90
F156680-5g	5g	2	$173.90

View related series

Five-Membered Heterocyclic Compounds (2064) thiophenes (401)

Basic Description

Synonyms	STK894638 \| AB00731286-01 \| DTXSID90365433 \| EN300-12329 \| BBL021921 \| SCHEMBL422509 \| 5-(4-Fluorophenyl)thiophene-2-carboxylic acid \| FT-0680500 \| 6H-333S \| T71615 \| F1073 \| J-003340 \| YOFXYDVYMHOXSY-UHFFFAOYSA-N \| 5-(4-Fluoro-phenyl)-thiophene-2-carboxy
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiophenes
    - Subclass Thiophene carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiophenes
Subclass	Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Thiophene carboxylic acids
Alternative Parents	Fluorobenzenes 2,5-disubstituted thiophenes Aryl fluorides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Thiophene carboxylic acid - 2,5-disubstituted thiophene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid 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	488192018
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488192018
IUPAC Name	5-(4-fluorophenyl)thiophene-2-carboxylic acid
INCHI	InChI=1S/C11H7FO2S/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKey	YOFXYDVYMHOXSY-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=CC=C(S2)C(=O)O)F
Isomeric SMILES	C1=CC(=CC=C1C2=CC=C(S2)C(=O)O)F
WGK Germany	3
Molecular Weight	222.23
Reaxy-Rn	14266725
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14266725&ln=

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

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
F2308511	Certificate of Analysis	Jun 17, 2023	F156680
F2308512	Certificate of Analysis	Jun 17, 2023	F156680
F2308510	Certificate of Analysis	Jun 16, 2023	F156680
F2308513	Certificate of Analysis	Jun 16, 2023	F156680
F2308508	Certificate of Analysis	Jun 16, 2023	F156680
F2308506	Certificate of Analysis	Jun 16, 2023	F156680

Chemical and Physical Properties

Melt Point(°C)	248-254 °C
Molecular Weight	222.240 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	222.015 Da
Monoisotopic Mass	222.015 Da
Topological Polar Surface Area	65.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	239.000
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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