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3'-Nitroacetanilide - >98.0%, high purity , CAS No.122-28-1

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3'-Nitroacetanilide - >98.0%, high purity , CAS No.122-28-1

COA

Grade & Purity:

≥98%

Cas Number: 122-28-1
Molecular Weight: 180.16
Beilstein Registry Number: 12(3)1551
MDL number: MFCD00017015
PubChem CID: 31206
PubChem SID: 488183130

In stock

Item Number

N159512

Grouped product items
SKU	Size	Availability	Price
N159512-1g	1g	3	$9.90
N159512-5g	5g	3	$25.90
N159512-25g	25g	2	$84.90
N159512-100g	100g	1	$247.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	MS-1807 \| 3'-Nitroacetanilide \| 3-Nitroacetanilide \| EINECS 204-532-6 \| NCGC00246571-01 \| D91639 \| NSC99339 \| NSC-99339 \| HMS2614A20 \| Q27287255 \| STK257092 \| DTXSID5059539 \| MFCD00017015 \| N-Acetyl-m-nitroaniline \| AMY24877 \| Acetanilide, 3'-nitro- \| AKO
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	Acetanilides
Alternative Parents	Nitrobenzenes N-acetylarylamines Nitroaromatic compounds Acetamides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Acetanilide - N-acetylarylamine - Nitrobenzene - Nitroaromatic compound - N-arylamide - Acetamide - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
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

Associated Targets(Human)

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488183130
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183130
IUPAC Name	N-(3-nitrophenyl)acetamide
INCHI	InChI=1S/C8H8N2O3/c1-6(11)9-7-3-2-4-8(5-7)10(12)13/h2-5H,1H3,(H,9,11)
InChIKey	KFTYNYHJHKCRKU-UHFFFAOYSA-N
Smiles	CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
Isomeric SMILES	CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
WGK Germany	3
Molecular Weight	180.16
Beilstein	12(3)1551
Reaxy-Rn	2211961
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211961&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.

10 results found

Lot Number	Certificate Type	Date	Item
C2014044	Certificate of Analysis	Jan 19, 2024	N159512
C2013126	Certificate of Analysis	Jan 19, 2024	N159512
H2309414	Certificate of Analysis	Dec 19, 2022	N159512
H2309419	Certificate of Analysis	Dec 19, 2022	N159512
H2309420	Certificate of Analysis	Dec 19, 2022	N159512
H2309415	Certificate of Analysis	Dec 19, 2022	N159512
H2309416	Certificate of Analysis	Dec 19, 2022	N159512
H2309418	Certificate of Analysis	Dec 19, 2022	N159512
H2309672	Certificate of Analysis	Dec 19, 2022	N159512
H2309417	Certificate of Analysis	Dec 19, 2022	N159512

Chemical and Physical Properties

Melt Point(°C)	151-158°C
Molecular Weight	180.160 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	180.053 Da
Monoisotopic Mass	180.053 Da
Topological Polar Surface Area	74.900 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	212.000
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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