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Methyl 4-(trifluoromethoxy)benzoate - 98%, high purity , CAS No.780-31-4

COA

Grade & Purity:

≥98%

Cas Number: 780-31-4
Molecular Weight: 220.1
PubChem CID: 737353

In stock

Item Number

M186600

Grouped product items
SKU	Size	Availability	Price
M186600-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$52.90
M186600-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$100.90
M186600-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$358.90

Discover Methyl 4-(trifluoromethoxy)benzoate by Aladdin Scientific in 98% for only $52.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	methyl 4-(trifluoromethoxy)benzoate \| 780-31-4 \| Methyl4-(Trifluoromethoxy)benzoate \| Benzoic acid, 4-(trifluoromethoxy)-, methyl ester \| MFCD00041006 \| Benzoic acid,4-(trifluoromethoxy)-, methyl ester \| SCHEMBL514352 \| methyl 4-trifluoromethoxybenzoate \| DTXSID10353231 \|
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	Phenoxy compounds Phenol ethers Benzoyl derivatives Methyl esters Trihalomethanes Monocarboxylic acids and derivatives Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - Phenoxy compound - Benzoyl - Phenol ether - Methyl ester - Trihalomethane - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl fluoride - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
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 4-(trifluoromethoxy)benzoate
INCHI	InChI=1S/C9H7F3O3/c1-14-8(13)6-2-4-7(5-3-6)15-9(10,11)12/h2-5H,1H3
InChIKey	JFFLBWZTJAWGNP-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=C(C=C1)OC(F)(F)F
Isomeric SMILES	COC(=O)C1=CC=C(C=C1)OC(F)(F)F
Molecular Weight	220.1
Reaxy-Rn	2648920
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2648920&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	220.140 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	220.035 Da
Monoisotopic Mass	220.035 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	219.000
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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