2,5-Dichlor-N-methylanilin - ≥95% , CAS No.10224-70-1

CAS: 10224-70-1 Cat. No.: D735146 Summenformel: C₇H₇Cl₂N Molekulargewicht: 176.04 PubChem CID: 641208

GRADE & PURITY ≥95%

Storage

Lagerung bei 2-8°C, vor Licht geschützt, mit Argon gefüllt

Shipped In

Nasses Eis

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Lagerung bei 2-8°C, vor Licht geschützt, mit Argon gefüllt

Verschickt in

Nasses Eis

Reinheit

≥95%

Produkteigenschaften

• ALogP: 3.2

Namen und Kennungen

• Kanonisches Lächeln: CNC1=C(C=CC(=C1)Cl)Cl
• IUPAC Name: 2,5-dichloro-N-methylaniline
• InChIKey: NENSBLLVKCAPRI-UHFFFAOYSA-N
• INCHI: 1S/C7H7Cl2N/c1-10-7-4-5(8)2-3-6(7)9/h2-4,10H,1H3
• Isomere SMILES: CNC1=C(C=CC(=C1)Cl)Cl
• PubChem CID: 641208
• Molekulargewicht: 176.04

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Aryl chlorides Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalkylamine - Aniline or substituted anilines - 1,4-dichlorobenzene - Secondary aliphatic/aromatic amine - Aryl halide - Aryl chloride - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

• Molekulargewicht: 176.040 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 174.996 Da
• Monoisotopic Mass: 174.996 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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