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4,4-Difluorocyclohexanecarboxylic acid - 98%, high purity , CAS No.122665-97-8

COA

Grade & Purity:

≥98%

Cas Number: 122665-97-8
Molecular Weight: 164.15
MDL number: MFCD03788493
PubChem CID: 2779136
PubChem SID: 488193813

In stock

Item Number

W132460

Grouped product items
SKU	Size	Availability	Price
W132460-1g	1g	10	$23.90
W132460-5g	5g	4	$76.90
W132460-25g	25g	3	$346.90
W132460-100g	100g	1	$1,246.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	4,4-Difluorocyclohexanecarboxylicacid \| H-20299 \| DTXSID00381285 \| MFCD03788493 \| SCHEMBL18199 \| cyclohexanecarboxylic acid, 4,4-difluoro- \| A2584 \| AKOS005063373 \| AC-338 \| 4,4-difluorocyclohexanoic acid \| BCP21700 \| BBL100219 \| C7H10F2O2 \| 4,4-Difluoroc
Specifications & Purity	≥98%
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	Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclohexyl halide - Monocarboxylic acid or derivatives - Carboxylic acid - 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	488193813
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488193813
IUPAC Name	4,4-difluorocyclohexane-1-carboxylic acid
INCHI	InChI=1S/C7H10F2O2/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H,10,11)
InChIKey	HYIUDFLDFSIXTR-UHFFFAOYSA-N
Smiles	C1CC(CCC1C(=O)O)(F)F
Isomeric SMILES	C1CC(CCC1C(=O)O)(F)F
WGK Germany	3
PubChem CID	2779136
Molecular Weight	164.15

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.

5 results found

Lot Number	Certificate Type	Date	Item
E2309124	Certificate of Analysis	Feb 11, 2025	W132460
K2129539	Certificate of Analysis	Sep 21, 2023	W132460
K2129545	Certificate of Analysis	Sep 21, 2023	W132460
K2130060	Certificate of Analysis	Sep 21, 2023	W132460
E1525101	Certificate of Analysis	Jan 16, 2023	W132460

Chemical and Physical Properties

Melt Point(°C)	107 °C
Molecular Weight	164.150 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	164.065 Da
Monoisotopic Mass	164.065 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158.000
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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