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

CAS: 6962-04-5 Cat. No.: B589917 Formula: C₁₂H₉Cl₂N Peso molecolare: 238.11

GRADE & PURITY ≥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

Specifications

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

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

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 508812684
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC(=CC=C1NC2=CC=C(C=C2)Cl)Cl
• Numero NSC: NSC Number': ['33439
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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