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(3,5-Difluorophenyl)(phenyl)methanone - 98%, high purity , CAS No.175136-66-0

COA

Grade & Purity:

≥98%

Cas Number: 175136-66-0
Molecular Weight: 454.2
PubChem CID: 519439
PubChem SID: 488190019

In stock

Item Number

D578728

Grouped product items
SKU	Size	Availability	Price
D578728-250mg	250mg	6	$11.90
D578728-1g	1g	6	$30.90
D578728-5g	5g	5	$90.90
D578728-25g	25g	2	$410.90

Basic Description

Synonyms	175136-66-0 \| 3,3',5,5'-Tetrakis(trifluoromethyl)benzophenone \| Bis(3,5-bis(trifluoromethyl)phenyl)methanone \| Bis[3,5-bis(trifluoromethyl)phenyl]methanone \| Methanone, bis[3,5-bis(trifluoromethyl)phenyl]- \| CDS1_000649 \| Maybridge1_002937 \| DivK1c_001689 \| SCHEMBL161800
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	Application： 3,3',5,5'-Tetrakis(trifluoromethyl)benzophenone, is used as reactive dye intermediates.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzophenones

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzophenones
Intermediate Tree Nodes	Not available
Direct Parent	Benzophenones
Alternative Parents	Diphenylmethanes Aryl-phenylketones Trifluoromethylbenzenes Benzoyl derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzophenone - Diphenylmethane - Aryl-phenylketone - Trifluoromethylbenzene - Benzoyl - Aryl ketone - Ketone - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl fluoride - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
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	488190019
IUPAC Name	bis[3,5-bis(trifluoromethyl)phenyl]methanone
INCHI	InChI=1S/C17H6F12O/c18-14(19,20)9-1-7(2-10(5-9)15(21,22)23)13(30)8-3-11(16(24,25)26)6-12(4-8)17(27,28)29/h1-6H
InChIKey	GATWMPGNBWPCIY-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
Isomeric SMILES	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
Molecular Weight	454.2
Reaxy-Rn	8451267
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8451267&ln=

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

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8 results found

Lot Number	Certificate Type	Date	Item
D2326387	Certificate of Analysis	Apr 01, 2023	D578728
D2326535	Certificate of Analysis	Apr 01, 2023	D578728
D2326526	Certificate of Analysis	Apr 01, 2023	D578728
D2326534	Certificate of Analysis	Apr 01, 2023	D578728
D2326523	Certificate of Analysis	Apr 01, 2023	D578728
D2326529	Certificate of Analysis	Apr 01, 2023	D578728
D2326539	Certificate of Analysis	Apr 01, 2023	D578728
D2326533	Certificate of Analysis	Apr 01, 2023	D578728

Chemical and Physical Properties

Solubility	Sparingly soluble in water.
Melt Point(°C)	139-140°
Molecular Weight	454.210 g/mol
XLogP3	6.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	2
Exact Mass	454.023 Da
Monoisotopic Mass	454.023 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	518.000
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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