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1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoro-ethanone - 97%, high purity , CAS No.1125812-58-9

COA

Grade & Purity:

≥97%

Cas Number: 1125812-58-9
Molecular Weight: 276.56
EC Number: 808-269-3
PubChem CID: 53414982

In stock

Item Number

T635449

Grouped product items
SKU	Size	Availability	Price
T635449-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10.90
T635449-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
T635449-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$20.90
T635449-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$98.90
T635449-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$196.90

Basic Description

Synonyms	AKOS016012362 \| 1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone \| DTXSID40696901 \| 1-[3-CHLORO-5-TRIFLUOROMETHYLPHENYL]-2,2,2-TRIFLUOROETHANONE \| EN300-1938991 \| 1-(3-CHLORO-5-TRIFLUOROMETHYLPHENYL)-2,2,2-TRIFLUOROETHANONE \| 1-[3-Chloro-5-(
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	Trifluoromethylbenzenes Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Alpha-haloketones Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Trifluoromethylbenzene - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organohalogen compound - Organochloride - Organofluoride - 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

IUPAC Name	1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
INCHI	InChI=1S/C9H3ClF6O/c10-6-2-4(7(17)9(14,15)16)1-5(3-6)8(11,12)13/h1-3H
InChIKey	KPHAJQJWTSUTQU-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1C(F)(F)F)Cl)C(=O)C(F)(F)F
Isomeric SMILES	C1=C(C=C(C=C1C(F)(F)F)Cl)C(=O)C(F)(F)F
Alternate CAS	1125812-58-9
PubChem CID	53414982
Molecular Weight	276.56

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	276.560 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	275.978 Da
Monoisotopic Mass	275.978 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	297.000
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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