Benzidine-(rings-d₈) - ≥98 atom% D , CAS No.92890-63-6

CAS: 92890-63-6 Cat. No.: B472057 Fórmula: C₁₂H₄D₈N₂ Peso molecular: 192.29 Número EC: 693-875-9

CALIDAD & PUREZA ≥98 atom% D

Synonyms

4,4'-Benzidine D8 (biphenyl D8) | Benzidine-(rings-d8), 98 atom % D | (~2~H_8_)[1,1'-Biphenyl]-4,4'-diamine | Benzidine-D8 500 microg/mL in Acetonitrile/Methanol (1:1) | Benzidine-rings-d8 | DTXSID40584157 | 4-(4-amino-2,3,5,6-tetradeuteriophenyl)-2,3,5,6

Storage

Room temperature

Descripción general

Benzidine-(rings-d8) is an isotope of benzidine.

Especificaciones

Sinónimos

4,4'-Benzidine D8 (biphenyl D8) | Benzidine-(rings-d8), 98 atom % D | (~2~H_8_)[1,1'-Biphenyl]-4,4'-diamine | Benzidine-D8 500 microg/mL in Acetonitrile/Methanol (1:1) | Benzidine-rings-d8 | DTXSID40584157 | 4-(4-amino-2,3,5,6-tetradeuteriophenyl)-2,3,5,6

Especificaciones y pureza

≥98 atom% D

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98 atom% D

Nombres e identificadores

Sonrisas canónicas

C1=CC(=CC=C1C2=CC=C(C=C2)N)N

IUPAC Name

4-(4-amino-2,3,5,6-tetradeuteriophenyl)-2,3,5,6-tetradeuterioaniline

InChIKey

HFACYLZERDEVSX-PGRXLJNUSA-N

INCHI

1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2/i1D,2D,3D,4D,5D,6D,7D,8D

Isómeros SMILES

[2H]C1=C(C(=C(C(=C1C2=C(C(=C(C(=C2[2H])[2H])N)[2H])[2H])[2H])[2H])N)[2H]

Peso molecular

192.29

Reaxy-Rn

742770

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742770&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzidines
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzidine - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzidines. These are organic compounds containing the benzidine skeleton, made up of a biphenyl ring system substituted at the 4- and 4'-positions with a unsubstituted amine 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

Propiedades químicas y físicas

• Peso molecular: 192.290 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 192.15 Da
• Monoisotopic Mass: 192.15 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 145.000
• Isotope Atom Count: 8
• 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