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5-Acetoxy-3-chloro-2-pentanone - 95%, high purity , CAS No.13051-49-5

COA

Grade & Purity:

≥95%

Cas Number: 13051-49-5
Molecular Weight: 178.61
PubChem CID: 114447
PubChem SID: 488187503

In stock

Item Number

A347912

Grouped product items
SKU	Size	Availability	Price	Qty
A347912-100mg	100mg	4	$99.90
A347912-500mg	500mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$307.90

an aliphatic reagent

View related series

Fatty chain compounds (194)

Basic Description

Synonyms	AS-17847 \| 2-Pentanone, 3-chloro-5-hydroxy-, acetate \| J-005819 \| 2-chloro-3-oxopentylacetate \| (3-chloro-4-oxopentyl) acetate \| 5-Acetoxy-3-chloro-2-pentanone \| LQKQGYIKTRJVJF-UHFFFAOYSA-N \| F10298 \| ?3-Chloro-5-hydroxy-2-pentanon acet \| SY019538 \| F9994
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	5-Acetoxy-3-chloro-2-pentanone is an aliphatic reagent.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Alpha-haloketones
        Level7 Alpha-chloroketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Alpha-haloketones
Direct Parent	Alpha-chloroketones
Alternative Parents	Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-chloroketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alpha-chloroketones. These are organic compounds contaning a chlorine atom attached to the alpha carbon atom relative to C=O 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

Pubchem Sid	488187503
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187503
IUPAC Name	(3-chloro-4-oxopentyl) acetate
INCHI	InChI=1S/C7H11ClO3/c1-5(9)7(8)3-4-11-6(2)10/h7H,3-4H2,1-2H3
InChIKey	LQKQGYIKTRJVJF-UHFFFAOYSA-N
Smiles	CC(=O)C(CCOC(=O)C)Cl
Isomeric SMILES	CC(=O)C(CCOC(=O)C)Cl
Molecular Weight	178.61
Reaxy-Rn	971207
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=971207&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.

6 results found

Lot Number	Certificate Type	Date	Item
I2418142	Certificate of Analysis	Jun 05, 2024	A347912
I2418143	Certificate of Analysis	Jun 05, 2024	A347912
I2418144	Certificate of Analysis	Jun 05, 2024	A347912
A2207345	Certificate of Analysis	Dec 13, 2021	A347912
A2207347	Certificate of Analysis	Dec 13, 2021	A347912
C2308799	Certificate of Analysis	Dec 13, 2021	A347912

Chemical and Physical Properties

Molecular Weight	178.610 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	178.04 Da
Monoisotopic Mass	178.04 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	156.000
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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