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4-Fluoro-3-(phenylcarbamoyl)phenylboronic acid (contains varying amounts of Anhydride) - 95%, high purity , CAS No.874219-33-7

COA

Grade & Purity:

≥95%

Cas Number: 874219-33-7
Molecular Weight: 259
PubChem CID: 44717533
PubChem SID: 504770461

In stock

Item Number

F187438

Grouped product items
SKU	Size	Availability	Price
F187438-250mg	250mg	3	$19.90
F187438-1g	1g	3	$63.90
F187438-5g	5g	3	$286.90
F187438-25g	25g	2	$1,289.90

Basic Description

Synonyms	874219-33-7 \| 4-Fluoro-3-(phenylcarbamoyl)phenylboronic acid \| (4-Fluoro-3-(phenylcarbamoyl)phenyl)boronic acid \| 4-Fluoro-3-(phenylcarbamoyl)benzeneboronic acid \| [4-Fluoro-3-(phenylcarbamoyl)phenyl]boronic acid \| 5-Borono-2-fluoro-N-phenylbenzamide \| (4-Fluoro-3-(p
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Aromatic anilides
        Level6 Benzanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Aromatic anilides
Direct Parent	Benzanilides
Alternative Parents	2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Secondary carboxylic acid amides Boronic acids Organic metalloid salts Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzanilide - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Boronic acid derivative - Boronic acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic metalloid salt - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic metalloid moeity - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
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	504770461
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770461
IUPAC Name	[4-fluoro-3-(phenylcarbamoyl)phenyl]boronic acid
INCHI	InChI=1S/C13H11BFNO3/c15-12-7-6-9(14(18)19)8-11(12)13(17)16-10-4-2-1-3-5-10/h1-8,18-19H,(H,16,17)
InChIKey	KHFWXFSYCGFPGR-UHFFFAOYSA-N
Smiles	B(C1=CC(=C(C=C1)F)C(=O)NC2=CC=CC=C2)(O)O
Isomeric SMILES	B(C1=CC(=C(C=C1)F)C(=O)NC2=CC=CC=C2)(O)O
Molecular Weight	259
Reaxy-Rn	27191077
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27191077&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
B2310123	Certificate of Analysis	Nov 02, 2022	F187438
B2310187	Certificate of Analysis	Nov 02, 2022	F187438
B2310133	Certificate of Analysis	Nov 02, 2022	F187438
B2310171	Certificate of Analysis	Nov 02, 2022	F187438

Chemical and Physical Properties

Melt Point(°C)	252-254°
Molecular Weight	259.040 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	259.082 Da
Monoisotopic Mass	259.082 Da
Topological Polar Surface Area	69.600 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	310.000
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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