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4-Acetamido-2-chloro-5-nitrotoluene - 98%, high purity , CAS No.7149-78-2

COA

Grade & Purity:

≥98%

Cas Number: 7149-78-2
Molecular Weight: 228.6
PubChem CID: 251680

In stock

Item Number

A186206

Grouped product items
SKU	Size	Availability	Price	Qty
A186206-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,045.90

Discover 4-Acetamido-2-chloro-5-nitrotoluene by Aladdin Scientific in 98% for only $1,045.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	n-(5-chloro-4-methyl-2-nitrophenyl)acetamide \| 7149-78-2 \| 4-Acetamido-2-chloro-5-nitrotoluene \| MFCD00034545 \| NSC72332 \| Oprea1_412502 \| SCHEMBL863876 \| DTXSID30291000 \| KEELZFXRQAZCJA-UHFFFAOYSA-N \| AC6675 \| NSC-72332 \| AKOS000114367 \| CYCLOHEXANEACRYLICACIDMETHYLESTER \| SB7686
Specifications & Purity	≥98%
Storage Temp	Room temperature
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	N-acetylarylamines Nitrotoluenes Nitrobenzenes Nitroaromatic compounds Chlorobenzenes 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 - N-acetylarylamine - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - N-arylamide - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Acetamide - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - 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 - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic oxygen 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

IUPAC Name	N-(5-chloro-4-methyl-2-nitrophenyl)acetamide
INCHI	InChI=1S/C9H9ClN2O3/c1-5-3-9(12(14)15)8(4-7(5)10)11-6(2)13/h3-4H,1-2H3,(H,11,13)
InChIKey	KEELZFXRQAZCJA-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1Cl)NC(=O)C)[N+](=O)[O-]
Isomeric SMILES	CC1=CC(=C(C=C1Cl)NC(=O)C)[N+](=O)[O-]
Molecular Weight	228.6
Reaxy-Rn	2651927
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2651927&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	228.630 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	228.03 Da
Monoisotopic Mass	228.03 Da
Topological Polar Surface Area	74.900 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	267.000
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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