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Methyl 4-Chloroacetoacetate - >96.0%(GC), high purity , CAS No.32807-28-6

COA

Grade & Purity:

≥96%(GC)

Cas Number: 32807-28-6
Molecular Weight: 150.56
Beilstein Registry Number: 1759940
MDL number: MFCD00000938
PubChem CID: 36240
PubChem SID: 488183271

In stock

Item Number

M158829

Grouped product items
SKU	Size	Availability	Price
M158829-5ml	5ml	3	$19.90
M158829-25ml	25ml	5	$39.90
M158829-100ml	100ml	≥10	$99.90
M158829-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$399.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	Butanoic acid, 4-chloro-3-oxo-, methyl ester \| Methyl 4-chloro-3-oxobutanoate \| methyl 4-chloro-3-oxo-butanoate \| Methyl 4-chloro-3-oxobutyrate \| 4-Chloroacetoacetic Acid Methyl Ester \| Methyl 4-chloroacetoacetate \| MFCD00000938 \| methyl-4-chloroacetoacet
Specifications & Purity	≥96%(GC)
Shipped In	Normal
Product Description	Reacts with symmetric allylic diacetates or dicarbonates in the presence of a palladium catalyst to give dihyrofurans.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Keto acids and derivatives
    - Subclass Beta-keto acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Keto acids and derivatives
Subclass	Beta-keto acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Beta-keto acids and derivatives
Alternative Parents	Fatty acid methyl esters 1,3-dicarbonyl compounds Methyl esters Alpha-chloroketones Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Beta-keto acid - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - 1,3-dicarbonyl compound - Alpha-haloketone - Alpha-chloroketone - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl chloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Organohalogen compound - Organochloride - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488183271
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183271
IUPAC Name	methyl 4-chloro-3-oxobutanoate
INCHI	InChI=1S/C5H7ClO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3
InChIKey	HFLMYYLFSNEOOT-UHFFFAOYSA-N
Smiles	COC(=O)CC(=O)CCl
Isomeric SMILES	COC(=O)CC(=O)CCl
WGK Germany	3
RTECS	AK5115000
Molecular Weight	150.56
Beilstein	1759940
Reaxy-Rn	1759939
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759939&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.

10 results found

Lot Number	Certificate Type	Date	Item
K2418334	Certificate of Analysis	Nov 06, 2024	M158829
K2418335	Certificate of Analysis	Nov 06, 2024	M158829
K2418336	Certificate of Analysis	Nov 06, 2024	M158829
K2418337	Certificate of Analysis	Nov 06, 2024	M158829
K2418338	Certificate of Analysis	Nov 06, 2024	M158829
K2401572	Certificate of Analysis	Oct 22, 2024	M158829
L2219131	Certificate of Analysis	Dec 23, 2022	M158829
I1807067	Certificate of Analysis	Jul 08, 2022	M158829
C2208120	Certificate of Analysis	Mar 22, 2022	M158829
B2215201	Certificate of Analysis	Feb 19, 2022	M158829

Chemical and Physical Properties

Solubility	Soluble in water,Decomposes in contact with water; Soluble in Ether
Refractive Index	1.456
Flash Point(°F)	215.6 °F
Flash Point(°C)	108°C
Boil Point(°C)	85 °C/4 mmHg
Melt Point(°C)	14 °C
Molecular Weight	150.560 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	150.008 Da
Monoisotopic Mass	150.008 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	121.000
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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