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4',5'-Dichloro-2'-nitroacetanilide - >97.0%(HPLC), high purity , CAS No.5462-30-6

COA

Grade & Purity:

≥97%(HPLC)

Cas Number: 5462-30-6
Molecular Weight: 249.05
MDL number: MFCD00024301
PubChem CID: 226498
PubChem SID: 488188770

In stock

Item Number

D155951

Grouped product items
SKU	Size	Availability	Price
D155951-1g	1g	3	$24.90
D155951-5g	5g	2	$95.90
D155951-25g	25g	2	$366.90
D155951-100g	100g	2	$1,320.90

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Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	9J-546S \| N1-(4,5-dichloro-2-nitrophenyl)acetamide \| SCHEMBL8513944 \| SR-01000309463 \| D4907 \| 2-(4-chlorophenoxy)-2-thioxo-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphole;N1-(4,5-Dichloro-2-nitrophenyl)acetamide \| AC-20341 \| N1-(45-DICHLORO-2-NITROPHENYL)ACE
Specifications & Purity	≥97%(HPLC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Acetanilides
        Level6 Haloacetanilides
        Level7 M-haloacetanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Acetanilides - Haloacetanilides
Direct Parent	M-haloacetanilides
Alternative Parents	P-haloacetanilides N-acetylarylamines Nitrobenzenes Dichlorobenzenes Nitroaromatic compounds Aryl chlorides Acetamides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organochlorides Organopnictogen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-haloacetanilide - P-haloacetanilide - N-acetylarylamine - Nitrobenzene - Nitroaromatic compound - 1,2-dichlorobenzene - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Acetamide - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Carbonyl group - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organonitrogen compound - Organic zwitterion - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn meta-substituted with a halogen atom.
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	488188770
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188770
IUPAC Name	N-(4,5-dichloro-2-nitrophenyl)acetamide
INCHI	InChI=1S/C8H6Cl2N2O3/c1-4(13)11-7-2-5(9)6(10)3-8(7)12(14)15/h2-3H,1H3,(H,11,13)
InChIKey	ZEGRPTYRAGSSBH-UHFFFAOYSA-N
Smiles	CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl
Isomeric SMILES	CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl
WGK Germany	3
Molecular Weight	249.05
Reaxy-Rn	2855807
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2855807&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
C2023025	Certificate of Analysis	Jan 10, 2024	D155951
L2413274	Certificate of Analysis	Nov 09, 2021	D155951
F2405147	Certificate of Analysis	Nov 09, 2021	D155951

Chemical and Physical Properties

Melt Point(°C)	126 °C
Molecular Weight	249.050 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	247.976 Da
Monoisotopic Mass	247.976 Da
Topological Polar Surface Area	74.900 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	269.000
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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