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4′-(Trifluoromethyl)propiophenone - 99%, high purity , CAS No.711-33-1

COA

Grade & Purity:

≥99%

Cas Number: 711-33-1
Molecular Weight: 202.17
Beilstein Registry Number: 1874014
MDL number: MFCD00039231
PubChem CID: 136554
PubChem SID: 488187882

In stock

Item Number

T123168

Grouped product items
SKU	Size	Availability	Price
T123168-1g	1g	10	$72.90
T123168-5g	5g	9	$281.90
T123168-25g	25g	3	$981.90
T123168-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,404.90

Basic Description

Synonyms	711-33-1 \| 1-(4-(Trifluoromethyl)phenyl)propan-1-one \| 4'-(Trifluoromethyl)propiophenone \| 4-(Trifluoromethyl)propiophenone \| 1-[4-(trifluoromethyl)phenyl]propan-1-one \| 4-Trifluoromethylpropiophenone \| p-Trifluoromethylpropiophenone \| MFCD00039231 \| 1-[4-(trifluoromethy
Specifications & Purity	≥99%
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 Phenylpropanes Benzoyl derivatives Aryl alkyl ketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Trifluoromethylbenzene - Phenylpropane - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Organofluoride - 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	488187882
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187882
IUPAC Name	1-[4-(trifluoromethyl)phenyl]propan-1-one
INCHI	InChI=1S/C10H9F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6H,2H2,1H3
InChIKey	QFKOWENRSZZLPK-UHFFFAOYSA-N
Smiles	CCC(=O)C1=CC=C(C=C1)C(F)(F)F
Isomeric SMILES	CCC(=O)C1=CC=C(C=C1)C(F)(F)F
WGK Germany	3
PubChem CID	136554
Molecular Weight	202.17
Beilstein	1874014

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
I1401037	Certificate of Analysis	Jun 20, 2022	T123168
E2305898	Certificate of Analysis	Jun 18, 2022	T123168
H1816121	Certificate of Analysis	Jun 18, 2022	T123168
E2305923	Certificate of Analysis	Jun 18, 2022	T123168
E2305943	Certificate of Analysis	Jun 18, 2022	T123168
H1816120	Certificate of Analysis	Jun 18, 2022	T123168

Chemical and Physical Properties

Flash Point(°F)	210.2 °F
Flash Point(°C)	98°C
Boil Point(°C)	216°C
Melt Point(°C)	36-39°C
Molecular Weight	202.170 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	202.061 Da
Monoisotopic Mass	202.061 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	202.000
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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