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2,2-Difluoro-1-methylcyclopropanecarboxylic acid - 97%, high purity , CAS No.128073-33-6

COA

Grade & Purity:

≥97%

Cas Number: 128073-33-6
Molecular Weight: 136.1
MDL number: MFCD07777163
PubChem CID: 14695229
PubChem SID: 504767699

In stock

Item Number

D166844

Grouped product items
SKU	Size	Availability	Price
D166844-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$34.90
D166844-250mg	250mg	3	$66.90
D166844-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$239.90

Basic Description

Synonyms	128073-33-6 \| 2,2-Difluoro-1-methylcyclopropanecarboxylic acid \| 2,2-difluoro-1-methylcyclopropane-1-carboxylic acid \| 2,2-DIFLUORO-1-METHYLCYCLOPROPANE CARBOXYLIC ACID \| MFCD07777163 \| (+/-)-2,2-Difluoro-1-methylcyclopropanecarboxylic acid \| 2,2-difluoro-1-methyl-cy
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Cyclopropanecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Cyclopropanecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Cyclopropanecarboxylic acids
Alternative Parents	Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclopropanecarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclopropanecarboxylic acids. These are organic compounds containing a carboxyl group attached to a cyclopropane ring.
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	504767699
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767699
IUPAC Name	2,2-difluoro-1-methylcyclopropane-1-carboxylic acid
INCHI	InChI=1S/C5H6F2O2/c1-4(3(8)9)2-5(4,6)7/h2H2,1H3,(H,8,9)
InChIKey	HLFLYOQLHYYNLT-UHFFFAOYSA-N
Smiles	CC1(CC1(F)F)C(=O)O
Isomeric SMILES	CC1(CC1(F)F)C(=O)O
WGK Germany	3
Molecular Weight	136.1
Reaxy-Rn	3603182
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3603182&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.

2 results found

Lot Number	Certificate Type	Date	Item
L1911142	Certificate of Analysis	Oct 19, 2023	D166844
L2209523	Certificate of Analysis	Dec 30, 2022	D166844

Chemical and Physical Properties

Flash Point(°F)	181.4 °F
Flash Point(°C)	83 °C
Melt Point(°C)	62-64°C
Molecular Weight	136.100 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	136.034 Da
Monoisotopic Mass	136.034 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	166.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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