The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
Methyl 2,2-difluoro-3-methoxypropionate - 95%, high purity , CAS No.99497-39-9
Basic Description
Synonyms
methyl 2,2-difluoro-3-methoxypropanoate | 99497-39-9 | Methyl 2,2-Difluoro-3-methoxypropionate | SCHEMBL124837 | DTXSID90377758 | AKOS006293482 | methyl2,2-difluoro-3-methoxypropanoate
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid esters
Direct Parent
Methyl esters
Alternative Parents
Alpha-halocarboxylic acid derivatives Monocarboxylic acids and derivatives Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Methyl ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Alkyl halide - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
methyl 2,2-difluoro-3-methoxypropanoate
INCHI
InChI=1S/C5H8F2O3/c1-9-3-5(6,7)4(8)10-2/h3H2,1-2H3
InChIKey
GKYYMXQCYVIIJJ-UHFFFAOYSA-N
Smiles
COCC(C(=O)OC)(F)F
Isomeric SMILES
COCC(C(=O)OC)(F)F
Molecular Weight
154.113
Reaxy-Rn
19855852
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19855852&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
154.110 g/mol
XLogP3
0.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
154.044 Da
Monoisotopic Mass
154.044 Da
Topological Polar Surface Area
35.500 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
124.000
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.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
