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Ethyl 4,4-difluorocyclohexanecarboxylate - ≥97%, high purity , CAS No.178312-47-5

COA

Grade & Purity:

≥97%

Cas Number: 178312-47-5
Molecular Weight: 192.21
PubChem CID: 2779138
PubChem SID: 488193814

In stock

Item Number

E138390

Grouped product items
SKU	Size	Availability	Price
E138390-250mg	250mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$49.90
E138390-1g	1g	3	$152.90
E138390-5g	5g	3	$585.90
E138390-10g	10g	4	$1,053.90
E138390-25g	25g	3	$2,370.90
E138390-100g	100g	2	$8,532.90

Basic Description

Synonyms	Ethyl 4,4-difluorocyclohexanecarboxylate \| 178312-47-5 \| Ethyl 4,4-difluorocyclohexane-1-carboxylate \| cyclohexanecarboxylic acid, 4,4-difluoro-, ethyl ester \| ETHYL4,4-DIFLUOROCYCLOHEXANECARBOXYLATE \| ethyl 4,4-difluorocyclohexane carboxylate \| MFCD03788494 \| ethyl-4,
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Alkyl halides
    - Subclass Cyclohexyl halides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Alkyl halides
Subclass	Cyclohexyl halides
Intermediate Tree Nodes	Not available
Direct Parent	Cyclohexyl halides
Alternative Parents	Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclohexyl halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Carbonyl group - Alkyl fluoride - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen atom.
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	488193814
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488193814
IUPAC Name	ethyl 4,4-difluorocyclohexane-1-carboxylate
INCHI	InChI=1S/C9H14F2O2/c1-2-13-8(12)7-3-5-9(10,11)6-4-7/h7H,2-6H2,1H3
InChIKey	HZZDWLBBNSDYQM-UHFFFAOYSA-N
Smiles	CCOC(=O)C1CCC(CC1)(F)F
Isomeric SMILES	CCOC(=O)C1CCC(CC1)(F)F
Molecular Weight	192.21
Reaxy-Rn	10066230
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10066230&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.

11 results found

Lot Number	Certificate Type	Date	Item
G2312949	Certificate of Analysis	Apr 07, 2025	E138390
G2312958	Certificate of Analysis	Apr 07, 2025	E138390
G2312946	Certificate of Analysis	Apr 07, 2025	E138390
G2312944	Certificate of Analysis	Apr 07, 2025	E138390
G2312940	Certificate of Analysis	Apr 07, 2025	E138390
G2312941	Certificate of Analysis	Apr 07, 2025	E138390
G2312939	Certificate of Analysis	Apr 07, 2025	E138390
G2312938	Certificate of Analysis	Apr 07, 2025	E138390
G2312937	Certificate of Analysis	Apr 07, 2025	E138390
G2312875	Certificate of Analysis	Apr 07, 2025	E138390
E1703017	Certificate of Analysis	Dec 07, 2022	E138390

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Chemical and Physical Properties

Boil Point(°C)	84-86°/8 mmHg
Molecular Weight	192.200 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	192.096 Da
Monoisotopic Mass	192.096 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	182.000
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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