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1,3-Dichloroacetone - 95%, high purity , CAS No.534-07-6

1 Citations

COA

Grade & Purity:

≥95%

Cas Number: 534-07-6
Molecular Weight: 126.97
MDL number: MFCD00000937
PubChem CID: 10793

In stock

Item Number

D463471

Grouped product items
SKU	Size	Availability	Price
D463471-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90
D463471-50g	50g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$69.90
D463471-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$112.90

View related series

ketone (798)

Basic Description

Synonyms	NSC8745 \| NSC-8745 \| alpha,alpha'-Dichloroacetone \| EN300-20702 \| 1,3-bis(chloranyl)propan-2-one \| 4-01-00-03219 (Beilstein Handbook Reference) \| 1,3-Dichloro-2-propanone \| BISCHLOROMETHYL KETONE [HSDB] \| F0001-1383 \| InChI=1/C3H4Cl2O/c4-1-3(6)2-5/h1-2H \|
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.
Product Description	1,3-Dichloroacetone has been identified as a metabolite of 1,3-dichloropropanol by TLC. Kinetics of the reversible hydration of 1,3-dichloroacetone have been studied spectrophotometrically in solutions of water in dioxan and in acetonitrile.1,3-Dichloroacetone was used as acceptor substrate in the cross-aldol reaction with donor substrates such as acetone, cyclopentanone and cyclohexanone.

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	Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-chloroketone - 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

IUPAC Name	1,3-dichloropropan-2-one
INCHI	InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2
InChIKey	SUNMBRGCANLOEG-UHFFFAOYSA-N
Smiles	C(C(=O)CCl)Cl
Isomeric SMILES	C(C(=O)CCl)Cl
UN Number	2649
Packing Group	II
Molecular Weight	126.97
Reaxy-Rn	605456
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605456&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.

3 results found

Lot Number	Certificate Type	Date	Item
G2410094	Certificate of Analysis	Apr 29, 2024	D463471
G2410172	Certificate of Analysis	Apr 29, 2024	D463471
E2410124	Certificate of Analysis	Apr 15, 2024	D463471

Chemical and Physical Properties

Solubility	Solubility：Soluble in water， alcohol， ether
Flash Point(°C)	89°C
Boil Point(°C)	172-173
Melt Point(°C)	40-44
Molecular Weight	126.970 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	125.964 Da
Monoisotopic Mass	125.964 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	46.800
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

Citations of This Product

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