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Methyl chlorodifluoroacetate - 98%, high purity , CAS No.1514-87-0

COA

Grade & Purity:

≥98%

Cas Number: 1514-87-0
Molecular Weight: 144.5
Beilstein Registry Number: 1756070
MDL number: MFCD00000775
PubChem CID: 73935

In stock

Item Number

M409494

Grouped product items
SKU	Size	Availability	Price
M409494-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$55.90
M409494-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$69.90
M409494-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$138.90
M409494-50g	50g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90

Basic Description

Synonyms	Methyl chlorodifluoroacetate \| 1514-87-0 \| Methyl 2-chloro-2,2-difluoroacetate \| Chlorodifluoroacetic Acid Methyl Ester \| Acetic acid, chlorodifluoro-, methyl ester \| methyl chloro(difluoro)acetate \| methyl difluorochloroacetic acid \| Acetic acid, 2-chloro-2,2-difluoro
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Chlorodifluoroacetic acid methyl ester is a trifluoromethylating agent.3 Used in preparation of gem-difluorocyclopropane.2 and 2,2-difluoro-3-hydroxyesters1

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives
      - Level5 Carboxylic acid esters
        Level6 Methyl esters

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 Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Methyl ester - Monocarboxylic acid or derivatives - Alkyl fluoride - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Alkyl chloride - Alkyl halide - 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
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	methyl 2-chloro-2,2-difluoroacetate
INCHI	InChI=1S/C3H3ClF2O2/c1-8-2(7)3(4,5)6/h1H3
InChIKey	AWUPLMYXZJKHEG-UHFFFAOYSA-N
Smiles	COC(=O)C(F)(F)Cl
Isomeric SMILES	COC(=O)C(F)(F)Cl
WGK Germany	3
UN Number	2924
Packing Group	II
Molecular Weight	144.5
Beilstein	1756070
Reaxy-Rn	1756072
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1756072&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture sensitive.
Refractive Index	1.349
Flash Point(°F)	66.2 °F
Flash Point(°C)	19°C
Boil Point(°C)	79-81°C
Molecular Weight	144.500 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	143.979 Da
Monoisotopic Mass	143.979 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	103.000
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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