Skip to the beginning of the images gallery

Ethyl Pentafluorobenzoate - >98.0%(GC), high purity , CAS No.4522-93-4

COA

Grade & Purity:

≥98%(GC)

Cas Number: 4522-93-4
Molecular Weight: 240.13
MDL number: MFCD00039211
PubChem CID: 78283
PubChem SID: 488185554

In stock

Item Number

E156372

Grouped product items
SKU	Size	Availability	Price
E156372-1g	1g	3	$9.90
E156372-5g	5g	3	$25.90
E156372-25g	25g	2	$75.90

View related series

Carbonyl compound (2335) Non heterocyclic fluorine-containing block (1408)

Basic Description

Synonyms	MFCD00039211 \| Ethyl pentafluorobenzoate \| 2,3,4,5,6-pentafluoro-benzoic acid ethyl ester \| AKOS002723487 \| Benzoic acid, pentafluoro-, ethyl ester \| EINECS 224-854-0 \| FT-0635342 \| Pentafluorobenzoic acid, ethyl ester \| Benzoic acid, 2,3,4,5,6-pentafluor
Specifications & Purity	≥98%(GC)
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	4-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - 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

Pubchem Sid	488185554
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185554
IUPAC Name	ethyl 2,3,4,5,6-pentafluorobenzoate
INCHI	InChI=1S/C9H5F5O2/c1-2-16-9(15)3-4(10)6(12)8(14)7(13)5(3)11/h2H2,1H3
InChIKey	DFUDMSIRGGTHGI-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=C(C(=C(C(=C1F)F)F)F)F
Isomeric SMILES	CCOC(=O)C1=C(C(=C(C(=C1F)F)F)F)F
Molecular Weight	240.13
Reaxy-Rn	2054770
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2054770&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot Number	Certificate Type	Date	Item
I2319367	Certificate of Analysis	Sep 04, 2023	E156372
I2319368	Certificate of Analysis	Sep 04, 2023	E156372
I2319369	Certificate of Analysis	Sep 04, 2023	E156372
I2319386	Certificate of Analysis	Sep 04, 2023	E156372
I2319370	Certificate of Analysis	Sep 04, 2023	E156372
F2015013	Certificate of Analysis	Apr 26, 2022	E156372
G2311083	Certificate of Analysis	Apr 26, 2022	E156372

Chemical and Physical Properties

Sensitivity	Moisture sensitive.
Refractive Index	1.428
Flash Point(°F)	176°F
Flash Point(°C)	80℃
Boil Point(°C)	112-114°C
Molecular Weight	240.130 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	240.021 Da
Monoisotopic Mass	240.021 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	246.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration