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Ethyl 2,2-difluorohexanoate - 97%, high purity , CAS No.74106-81-3

COA

Grade & Purity:

≥97%

Cas Number: 74106-81-3
Molecular Weight: 180.19
PubChem CID: 10464909

In stock

Item Number

E579384

Grouped product items
SKU	Size	Availability	Price
E579384-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$30.90
E579384-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$100.90
E579384-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$340.90

Basic Description

Synonyms	ethyl 2,2-difluorohexanoate \| 74106-81-3 \| ethyl-2,2-difluorohexanoate \| 2,2-Difluoro-hexanoic acid ethyl ester \| MFCD11007687 \| 2,2-Difluorohexanoic acid ethyl ester \| Ethyl 2,2-difluorocaproate \| ETHYL2,2-DIFLUOROHEXANOATE \| H5TS88M7Q6 \| SCHEMBL1619413 \| AMY7143 \| DTXSID6044
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acid esters
Alternative Parents	Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid ester - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty 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	ethyl 2,2-difluorohexanoate
INCHI	InChI=1S/C8H14F2O2/c1-3-5-6-8(9,10)7(11)12-4-2/h3-6H2,1-2H3
InChIKey	XTUTXYBGTIFZFQ-UHFFFAOYSA-N
Smiles	CCCCC(C(=O)OCC)(F)F
Isomeric SMILES	CCCCC(C(=O)OCC)(F)F
Molecular Weight	180.19
Reaxy-Rn	2080496
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2080496&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	180.190 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	180.096 Da
Monoisotopic Mass	180.096 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	146.000
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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