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2′,6′-Difluoropropiophenone - 97%, high purity , CAS No.85068-31-1

COA

Grade & Purity:

≥97%

Cas Number: 85068-31-1
Molecular Weight: 170.16
PubChem CID: 522824
PubChem SID: 488190140

In stock

Item Number

D337680

Grouped product items
SKU	Size	Availability	Price
D337680-1g	1g	3	$38.90
D337680-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$108.90
D337680-25g	25g	3	$487.90

Discover 2′,6′-Difluoropropiophenone by Aladdin Scientific in 97% for only $38.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	MFCD00015506 \| 2',6'-Difluoropropiophenone \| 2,6-Difluoropropiophenone \| EINECS 285-293-5 \| FT-0610659 \| 1-(2,6-Difluorophenyl)-1-propanone # \| DTXSID90234135 \| SCHEMBL1162543 \| 1-Propanone, 1-(2,6-difluorophenyl)- \| 1-(2,6-Difluorophenyl)-1-propanone \| 1
Specifications & Purity	≥97%
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 Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Phenylpropane - Aryl alkyl ketone - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Organofluoride - Hydrocarbon derivative - Organic oxide - 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	488190140
IUPAC Name	1-(2,6-difluorophenyl)propan-1-one
INCHI	InChI=1S/C9H8F2O/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5H,2H2,1H3
InChIKey	ISFKUAKHXQLAFN-UHFFFAOYSA-N
Smiles	CCC(=O)C1=C(C=CC=C1F)F
Isomeric SMILES	CCC(=O)C1=C(C=CC=C1F)F
Molecular Weight	170.16
Reaxy-Rn	7368898
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7368898&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
F2210282	Certificate of Analysis	Mar 03, 2025	D337680
F2210283	Certificate of Analysis	Mar 03, 2025	D337680
F2210272	Certificate of Analysis	Mar 03, 2025	D337680
G2306021	Certificate of Analysis	May 26, 2022	D337680

Chemical and Physical Properties

Refractive Index	1.4760
Boil Point(°C)	71°/4mm
Molecular Weight	170.160 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	170.054 Da
Monoisotopic Mass	170.054 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160.000
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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