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4-BroMo-2-(trifluoroMethyl)acetophenone - 95%, high purity , CAS No.1197231-94-9

COA

Grade & Purity:

≥95%

Cas Number: 1197231-94-9
Molecular Weight: 267.04
PubChem CID: 62691203
PubChem SID: 488202049

In stock

Item Number

B578580

Grouped product items
SKU	Size	Availability	Price
B578580-250mg	250mg	6	$38.90
B578580-1g	1g	5	$100.90
B578580-5g	5g	2	$326.90

Basic Description

Synonyms	1197231-94-9 \| 1-(4-Bromo-2-(trifluoromethyl)phenyl)ethanone \| 1-[4-bromo-2-(trifluoromethyl)phenyl]ethan-1-one \| 1-[4-bromo-2-(trifluoromethyl)phenyl]ethanone \| Ethanone, 1-[4-bromo-2-(trifluoromethyl)phenyl]- \| MFCD16839140 \| 4'-Bromo-2'-(trifluoromethyl)acetopheno
Specifications & Purity	≥95%
Storage Temp	Protected from light
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 Acetophenones Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Aryl bromides Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Trifluoromethylbenzene - Acetophenone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organic oxide - Organofluoride - Organohalogen compound - Organobromide - 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	488202049
IUPAC Name	1-[4-bromo-2-(trifluoromethyl)phenyl]ethanone
INCHI	InChI=1S/C9H6BrF3O/c1-5(14)7-3-2-6(10)4-8(7)9(11,12)13/h2-4H,1H3
InChIKey	FBMIDZPWGMPHMY-UHFFFAOYSA-N
Smiles	CC(=O)C1=C(C=C(C=C1)Br)C(F)(F)F
Isomeric SMILES	CC(=O)C1=C(C=C(C=C1)Br)C(F)(F)F
Molecular Weight	267.04
Reaxy-Rn	30936348
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30936348&ln=

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

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6 results found

Lot Number	Certificate Type	Date	Item
E2306387	Certificate of Analysis	Mar 31, 2023	B578580
E2306438	Certificate of Analysis	Mar 31, 2023	B578580
E2306454	Certificate of Analysis	Mar 31, 2023	B578580
E2306390	Certificate of Analysis	Mar 31, 2023	B578580
E2306376	Certificate of Analysis	Mar 31, 2023	B578580
E2306446	Certificate of Analysis	Mar 31, 2023	B578580

Chemical and Physical Properties

Sensitivity	light sensitive
Molecular Weight	267.040 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	265.955 Da
Monoisotopic Mass	265.955 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	227.000
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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