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2',5'-Dichloroacetoacetanilide - 98%, high purity , CAS No.2044-72-6

COA

Grade & Purity:

≥98%

Cas Number: 2044-72-6
Molecular Weight: 246.09
MDL number: MFCD00018520
PubChem CID: 74890

In stock

Item Number

D154227

Grouped product items
SKU	Size	Availability	Price
D154227-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
D154227-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$53.90
D154227-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$181.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	NSC3911 \| Oxanal Scarlet A \| Acetoacetanilide, 2',5'-dichloro- \| R3SX6MV9T8 \| STL090842 \| EINECS 218-060-3 \| BENZOTHIAZOLE, 2,6-DIAMINO- \| Butanamide,5-dichlorophenyl)-3-oxo- \| Pyridine, 2-amino-4,6-dimethyl- \| SCHEMBL54924 \| NSC 3911 \| 2',5'-Dichloroacet
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Not available
Direct Parent	Anilides
Alternative Parents	N-arylamides Dichlorobenzenes Fatty amides Aryl chlorides 1,3-dicarbonyl compounds Secondary carboxylic acid amides Ketones Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Anilide - 1,4-dichlorobenzene - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Fatty amide - 1,3-dicarbonyl compound - Fatty acyl - Ketone - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
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	N-(2,5-dichlorophenyl)-3-oxobutanamide
INCHI	InChI=1S/C10H9Cl2NO2/c1-6(14)4-10(15)13-9-5-7(11)2-3-8(9)12/h2-3,5H,4H2,1H3,(H,13,15)
InChIKey	HLMZZYYGOKOOTA-UHFFFAOYSA-N
Smiles	CC(=O)CC(=O)NC1=C(C=CC(=C1)Cl)Cl
Isomeric SMILES	CC(=O)CC(=O)NC1=C(C=CC(=C1)Cl)Cl
Molecular Weight	246.09
Reaxy-Rn	2734739
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2734739&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	95 °C
Molecular Weight	246.090 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	245.001 Da
Monoisotopic Mass	245.001 Da
Topological Polar Surface Area	46.200 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	258.000
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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