Bis(4-chlorophenyl)amine - ≥97% , CAS No.6962-04-5

CAS: 6962-04-5 Cat. No.: B589917 Formule: C₁₂H₉Cl₂N Poids moléculaire: 238.11

QUALITÉ & PURETÉ ≥97%

Synonyms

BS-51743 | PTHWAPQEXRZRJW-UHFFFAOYSA-N | SCHEMBL1686571 | p,p'-Dichlordiphenylamin | 4-chloro-N-(4-chlorophenyl)aniline | bis(4-chlorophenyl)amine | 4,4'-Dichlorodiphenylamine | Benzenamine, 4-chloro-N-(4-chlorophenyl)- | Bis(p-chlorophenyl)amine | Diphen

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Spécifications

Synonymes

BS-51743 | PTHWAPQEXRZRJW-UHFFFAOYSA-N | SCHEMBL1686571 | p,p'-Dichlordiphenylamin | 4-chloro-N-(4-chlorophenyl)aniline | bis(4-chlorophenyl)amine | 4,4'-Dichlorodiphenylamine | Benzenamine, 4-chloro-N-(4-chlorophenyl)- | Bis(p-chlorophenyl)amine | Diphen

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

508812684

Sourires canoniques

C1=CC(=CC=C1NC2=CC=C(C=C2)Cl)Cl

IUPAC Name

4-chloro-N-(4-chlorophenyl)aniline

InChIKey

PTHWAPQEXRZRJW-UHFFFAOYSA-N

INCHI

1S/C12H9Cl2N/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H

Isomères SMILES

C1=CC(=CC=C1NC2=CC=C(C=C2)Cl)Cl

Numéro NSC

NSC Number': ['33439

Poids moléculaire

238.11

Reaxy-Rn

2806117

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2806117&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Chlorobenzenes Aryl chlorides Secondary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 238.110 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 237.011 Da
• Monoisotopic Mass: 237.011 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 162.000
• 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