N-Chloroacetanilide - ≥98%(N) , CAS No.579-11-3

CAS: 579-11-3 Cat. No.: N159271 Summenformel: C₈H₈ClNO Molekulargewicht: 169.61 EG-Nummer: 678-352-5

GRADE & PURITY ≥98%(N)

Synonyms

N-Chloroacetanilide | MFCD01671408 | ACETANILIDE, N-CHLORO- | 4-12-00-01048 (Beilstein Handbook Reference) | Acetamide, N-chloro-N-phenyl- | N-chloro-N-phenylacetamide | DTXSID90206615 | BRN 2208670 | T71089 | SCHEMBL2724523 | C2175

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

N-Chloroacetanilide | MFCD01671408 | ACETANILIDE, N-CHLORO- | 4-12-00-01048 (Beilstein Handbook Reference) | Acetamide, N-chloro-N-phenyl- | N-chloro-N-phenylacetamide | DTXSID90206615 | BRN 2208670 | T71089 | SCHEMBL2724523 | C2175

Spezifikationen & Reinheit

≥98%(N)

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(N)

Namen und Kennungen

Pubchem Sid

504752111

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752111

Kanonisches Lächeln

CC(=O)N(C1=CC=CC=C1)Cl

IUPAC Name

N-chloro-N-phenylacetamide

InChIKey

QNVKMXGRFVLMBM-UHFFFAOYSA-N

INCHI

1S/C8H8ClNO/c1-7(11)10(9)8-5-3-2-4-6-8/h2-6H,1H3

Isomere SMILES

CC(=O)N(C1=CC=CC=C1)Cl

Molekulargewicht

169.61

Reaxy-Rn

2208670

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208670&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: Acetamides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - Acetamide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive,Heat Sensitive
• Schmelzpunkt (°C): 92 °C
• Molekulargewicht: 169.610 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 169.029 Da
• Monoisotopic Mass: 169.029 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 143.000
• 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