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Methyl 3-(trifluoromethyl)phenylacetate - 95%, high purity , CAS No.62451-84-7

COA

Grade & Purity:

≥95%

Cas Number: 62451-84-7
Molecular Weight: 218.18
MDL number: MFCD04039762
PubChem CID: 2734603

In stock

Item Number

M134393

Grouped product items
SKU	Size	Availability	Price
M134393-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$37.90
M134393-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$93.90
M134393-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$169.90
M134393-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$304.90

Basic Description

Synonyms	62451-84-7 \| methyl 2-(3-(trifluoromethyl)phenyl)acetate \| Methyl 3-(trifluoromethyl)phenylacetate \| methyl 2-[3-(trifluoromethyl)phenyl]acetate \| MFCD04039762 \| methyl [3-(trifluoromethyl)phenyl]acetate \| Methyl (3-trifluoromethylphenyl)acetate \| Methyl2-(3-(trifluoro
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Methyl esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl 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

IUPAC Name	methyl 2-[3-(trifluoromethyl)phenyl]acetate
INCHI	InChI=1S/C10H9F3O2/c1-15-9(14)6-7-3-2-4-8(5-7)10(11,12)13/h2-5H,6H2,1H3
InChIKey	GMEBDKGPPKAPEM-UHFFFAOYSA-N
Smiles	COC(=O)CC1=CC(=CC=C1)C(F)(F)F
Isomeric SMILES	COC(=O)CC1=CC(=CC=C1)C(F)(F)F
Molecular Weight	218.18
Reaxy-Rn	2458838
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2458838&ln=

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
G2419257	Certificate of Analysis	Apr 16, 2024	M134393
G2419258	Certificate of Analysis	Apr 16, 2024	M134393

Chemical and Physical Properties

Molecular Weight	218.170 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	218.055 Da
Monoisotopic Mass	218.055 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	225.000
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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