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1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethan-1-one - 95%, high purity , CAS No.1190865-44-1

COA

Grade & Purity:

≥95%

Cas Number: 1190865-44-1
Molecular Weight: 261.00
PubChem CID: 75530023
PubChem SID: 504772384

In stock

Item Number

D407370

Grouped product items
SKU	Size	Availability	Price
D407370-1g	1g	5	$9.90
D407370-5g	5g	5	$31.90
D407370-25g	25g	3	$145.90
D407370-100g	100g	3	$544.90

Basic Description

Synonyms	1190865-44-1 \| 1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone \| 1-(3,5-Dichloro-4-fluoro-phenyl)-2,2,2-trifluoroethanone \| 3',5'-Dichloro-2,2,2,4'-tetrafluoroacetophenone \| MFCD23382507 \| 1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethan-1-one \| Ethanone,
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Dichlorobenzenes Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Aryl chlorides Alpha-haloketones Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Aryl alkyl ketone - 1,3-dichlorobenzene - Benzoyl - Halobenzene - Fluorobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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	504772384
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772384
IUPAC Name	1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone
INCHI	InChI=1S/C8H2Cl2F4O/c9-4-1-3(2-5(10)6(4)11)7(15)8(12,13)14/h1-2H
InChIKey	NSWPERXXSPCRCT-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1Cl)F)Cl)C(=O)C(F)(F)F
Isomeric SMILES	C1=C(C=C(C(=C1Cl)F)Cl)C(=O)C(F)(F)F
Molecular Weight	261.00
Reaxy-Rn	19651503
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19651503&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
E2210071	Certificate of Analysis	Feb 16, 2022	D407370
E2210070	Certificate of Analysis	Feb 16, 2022	D407370
E2210078	Certificate of Analysis	Feb 16, 2022	D407370
E2210085	Certificate of Analysis	Feb 16, 2022	D407370

Chemical and Physical Properties

Molecular Weight	261.000 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	259.942 Da
Monoisotopic Mass	259.942 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	244.000
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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