3'-Nitroacetanilide - ≥98% , CAS No.122-28-1

CAS: 122-28-1 Cat. No.: N159512 Summenformel: C₈H₈N₂O₃ Molekulargewicht: 180.16 Beilstein Registry Number: 12(3)1551 EG-Nummer: 204-532-6

GRADE & PURITY ≥98%

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

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488183130
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183130
• Kanonisches Lächeln: CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
• IUPAC Name: N-(3-nitrophenyl)acetamide
• InChIKey: KFTYNYHJHKCRKU-UHFFFAOYSA-N
• INCHI: 1S/C8H8N2O3/c1-6(11)9-7-3-2-4-8(5-7)10(12)13/h2-5H,1H3,(H,9,11)
• Isomere SMILES: CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
• WGK Deutschland: 3
• Molekulargewicht: 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Data sources

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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 151-158°C
• Molekulargewicht: 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 Ų
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 122-28-1, the molecular formula is C8H8N2O3, and the molecular weight is 180.16 g/mol. InChIKey KFTYNYHJHKCRKU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.