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4'-Fluoroisobutyrophenone - 95%, high purity , CAS No.26393-91-9

COA

Grade & Purity:

≥95%

Cas Number: 26393-91-9
Molecular Weight: 166.2
PubChem CID: 2782829
PubChem SID: 504762095

In stock

Item Number

F183280

Grouped product items
SKU	Size	Availability	Price
F183280-250mg	250mg	3	$45.90
F183280-1g	1g	2	$139.90
F183280-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$385.90

Basic Description

Synonyms	1-(4-fluorophenyl)-2-methylpropan-1-one \| 26393-91-9 \| 1-Propanone, 1-(4-fluorophenyl)-2-methyl- \| 4'-fluoroisobutyrophenone \| MFCD04038305 \| 1-(4-fluoro-phenyl)-2-methyl-propan-1-one \| p-Fluoroisobutyrophenone \| SCHEMBL204960 \| Isopropyl p-fluorophenyl ketone \| p-Fluoroph
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Phenylpropanes Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Phenylpropane - Aryl alkyl ketone - Benzoyl - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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	504762095
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762095
IUPAC Name	1-(4-fluorophenyl)-2-methylpropan-1-one
INCHI	InChI=1S/C10H11FO/c1-7(2)10(12)8-3-5-9(11)6-4-8/h3-7H,1-2H3
InChIKey	MHUVRVXSYXJUPK-UHFFFAOYSA-N
Smiles	CC(C)C(=O)C1=CC=C(C=C1)F
Isomeric SMILES	CC(C)C(=O)C1=CC=C(C=C1)F
Molecular Weight	166.2
Reaxy-Rn	1938973
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1938973&ln=

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

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
G2318217	Certificate of Analysis	Feb 03, 2023	F183280
D2024010	Certificate of Analysis	Feb 03, 2023	F183280

Chemical and Physical Properties

Molecular Weight	166.190 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	166.079 Da
Monoisotopic Mass	166.079 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	157.000
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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