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N-(3-Chlorophenyl)-3-oxobutyramide - 96%, high purity , CAS No.2415-87-4

COA

Grade & Purity:

≥96%

Cas Number: 2415-87-4
Molecular Weight: 211.65
MDL number: MFCD00018440
PubChem CID: 75487
PubChem SID: 488185110

In stock

Item Number

N159005

Grouped product items
SKU	Size	Availability	Price
N159005-50mg	50mg	6	$35.90
N159005-250mg	250mg	6	$138.90
N159005-1g	1g	4	$425.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	12G-916 \| AKOS000115205 \| T70624 \| SCHEMBL9428788 \| C2984 \| NSC 131343 \| NSC131343 \| NSC-131343 \| UNII-J74YM3C2KF \| EN300-01446 \| CS-0307504 \| Butanamide, N-(3-chlorophenyl)-3-oxo- \| 2-Acetyl-3'-chloroacetanilide \| EINECS 219-328-2 \| M-ACETOACETCHLORANILI
Specifications & Purity	≥96%
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 Chlorobenzenes 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 - N-arylamide - Chlorobenzene - Halobenzene - Aryl halide - Fatty acyl - 1,3-dicarbonyl compound - Fatty amide - Aryl chloride - Carboxamide group - Secondary carboxylic acid amide - Ketone - Carboxylic acid derivative - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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

Pubchem Sid	488185110
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185110
IUPAC Name	N-(3-chlorophenyl)-3-oxobutanamide
INCHI	InChI=1S/C10H10ClNO2/c1-7(13)5-10(14)12-9-4-2-3-8(11)6-9/h2-4,6H,5H2,1H3,(H,12,14)
InChIKey	MTPKMGABYQNMMG-UHFFFAOYSA-N
Smiles	CC(=O)CC(=O)NC1=CC(=CC=C1)Cl
Isomeric SMILES	CC(=O)CC(=O)NC1=CC(=CC=C1)Cl
Molecular Weight	211.65
Reaxy-Rn	2806261
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2806261&ln=

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

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
D2321940	Certificate of Analysis	Mar 20, 2023	N159005
D2321938	Certificate of Analysis	Mar 20, 2023	N159005
D2321931	Certificate of Analysis	Mar 20, 2023	N159005
D2321976	Certificate of Analysis	Mar 20, 2023	N159005
D2321919	Certificate of Analysis	Mar 20, 2023	N159005
D2321918	Certificate of Analysis	Mar 20, 2023	N159005

Chemical and Physical Properties

Melt Point(°C)	103 °C
Molecular Weight	211.640 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	211.04 Da
Monoisotopic Mass	211.04 Da
Topological Polar Surface Area	46.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	230.000
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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