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Methyl 3-chloro-3-oxopropionate - 95%, high purity , CAS No.37517-81-0

COA

Grade & Purity:

≥95%

Cas Number: 37517-81-0
Molecular Weight: 136.53
Beilstein Registry Number: 1754078
EC Number: 253-540-6
MDL number: MFCD00013657
PubChem CID: 123460

In stock

Item Number

M489935

Grouped product items
SKU	Size	Availability	Price
M489935-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$11.90
M489935-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$15.90
M489935-25g	25g	2	$43.90
M489935-100g	100g	2	$139.90

Basic Description

Synonyms	Methyl malonyl chloride \| 37517-81-0 \| methyl 3-chloro-3-oxopropanoate \| Methyl 3-chloro-3-oxopropionate \| Propanoic acid, 3-chloro-3-oxo-, methyl ester \| Methyl chloroformylacetate \| UAT3SX9MTD \| MFCD00013657 \| Propanoic acid, 3-chloro-2-oxo-, methyl ester \| EINECS 253-54
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	1,3-dicarbonyl compounds
Alternative Parents	Methyl esters Monocarboxylic acids and derivatives Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	1,3-dicarbonyl compound - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acyl halide - Acyl chloride - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any 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 3-chloro-3-oxopropanoate
INCHI	InChI=1S/C4H5ClO3/c1-8-4(7)2-3(5)6/h2H2,1H3
InChIKey	UTBCRHAMJFMIIR-UHFFFAOYSA-N
Smiles	COC(=O)CC(=O)Cl
Isomeric SMILES	COC(=O)CC(=O)Cl
WGK Germany	3
UN Number	3265
Molecular Weight	136.53
Beilstein	1754078
Reaxy-Rn	1754078
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754078&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.

8 results found

Lot Number	Certificate Type	Date	Item
I2227543	Certificate of Analysis	Jul 19, 2023	M489935
I2227548	Certificate of Analysis	Jul 18, 2023	M489935
I2227510	Certificate of Analysis	Jul 18, 2023	M489935
I2227501	Certificate of Analysis	Jul 18, 2023	M489935
E2319221	Certificate of Analysis	May 25, 2023	M489935
E2319213	Certificate of Analysis	May 24, 2023	M489935
E2319223	Certificate of Analysis	May 24, 2023	M489935
E2319218	Certificate of Analysis	May 24, 2023	M489935

Chemical and Physical Properties

Solubility	Reacts with water.
Sensitivity	heat sensitive;Moisture sensitive; light sensitive
Refractive Index	1.431-1.435
Flash Point(°F)	176 °F
Flash Point(°C)	80 °C
Boil Point(°C)	57-59°C
Molecular Weight	136.530 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	135.993 Da
Monoisotopic Mass	135.993 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	110.000
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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