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4'-Chloro-2',5'-dimethoxyacetoacetanilide - 98%, high purity , CAS No.4433-79-8

COA

Grade & Purity:

≥98%

Cas Number: 4433-79-8
Molecular Weight: 271.70
MDL number: MFCD00026256
PubChem CID: 78170
PubChem SID: 504755259

In stock

Item Number

C153777

Grouped product items
SKU	Size	Availability	Price
C153777-5g	5g	3	$9.90
C153777-25g	25g	2	$26.90
C153777-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$95.90
C153777-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$430.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	Azoic Coupling Component 44 \| NSC50638 \| NSC-50638 \| SCHEMBL1118436 \| Acetoacetanilide, 4'-chloro-2',5'-dimethoxy- \| N-(2,5-DIMETHOXY-4-CHLOROPHENYL)ACETOACETAMIDE \| N-ACETOACETYL-5-CHLORO-2-AMINO-1,4-DIMETHOXYBENZENE \| DTXSID5029265 \| 1-ACETOACETYLAMINO-
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Methoxybenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Dimethoxybenzenes
Alternative Parents	Anilides Methoxyanilines Phenoxy compounds Anisoles N-arylamides Alkyl aryl ethers Chlorobenzenes 1,3-dicarbonyl compounds Aryl chlorides Fatty amides Secondary carboxylic acid amides Ketones Organic oxides Organochlorides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-dimethoxybenzene - Dimethoxybenzene - Anilide - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - 1,3-dicarbonyl compound - Fatty acyl - Aryl chloride - Aryl halide - Fatty amide - Secondary carboxylic acid amide - Carboxamide group - Ketone - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
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	504755259
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755259
IUPAC Name	N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide
INCHI	InChI=1S/C12H14ClNO4/c1-7(15)4-12(16)14-9-6-10(17-2)8(13)5-11(9)18-3/h5-6H,4H2,1-3H3,(H,14,16)
InChIKey	MOUVJGIRLPZEES-UHFFFAOYSA-N
Smiles	CC(=O)CC(=O)NC1=CC(=C(C=C1OC)Cl)OC
Isomeric SMILES	CC(=O)CC(=O)NC1=CC(=C(C=C1OC)Cl)OC
Molecular Weight	271.70
Reaxy-Rn	2746768
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2746768&ln=

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

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Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
J2417472	Certificate of Analysis	Jun 22, 2024	C153777
K2306264	Certificate of Analysis	Sep 13, 2023	C153777
K2306259	Certificate of Analysis	Sep 13, 2023	C153777
K2306262	Certificate of Analysis	Sep 13, 2023	C153777
K2306263	Certificate of Analysis	Sep 13, 2023	C153777
K2306261	Certificate of Analysis	Sep 13, 2023	C153777
K2306260	Certificate of Analysis	Sep 13, 2023	C153777

Chemical and Physical Properties

Melt Point(°C)	108 °C
Molecular Weight	271.690 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	271.061 Da
Monoisotopic Mass	271.061 Da
Topological Polar Surface Area	64.599 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	310.000
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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