3,3'-Dihydroxybenzidine - ≥98% , CAS No.2373-98-0

CAS: 2373-98-0 Cat. No.: D122452 Formule: C₁₂H₁₂N₂O₂ Poids moléculaire: 216.24 Beilstein Registry Number: 13(2)502 Numéro CE: 679-800-2

QUALITÉ & PURETÉ ≥98%

Synonyms

InChI=1/C12H12N2O2/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6,15-16H,13-14H2 | 3,3'-dihydroxy-4,4'-diamino-bipheny | SY052119 | 3,3'-Dihydroxy-4,4'-diaminobiphenyl | 3,3'-Dihydroxy-4,4'-diamino-biphenyl | CCRIS 9225 | Q27285684 | ZGDMDBHLKNQPSD-UHFF

Storage

Room temperature,Argon charged

Shipped In

Normal

Spécifications

Synonymes

InChI=1/C12H12N2O2/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6,15-16H,13-14H2 | 3,3'-dihydroxy-4,4'-diamino-bipheny | SY052119 | 3,3'-Dihydroxy-4,4'-diaminobiphenyl | 3,3'-Dihydroxy-4,4'-diamino-biphenyl | CCRIS 9225 | Q27285684 | ZGDMDBHLKNQPSD-UHFF

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508808599

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808599

Sourires canoniques

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

IUPAC Name

2-amino-5-(4-amino-3-hydroxyphenyl)phenol

InChIKey

ZGDMDBHLKNQPSD-UHFFFAOYSA-N

INCHI

1S/C12H12N2O2/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6,15-16H,13-14H2

Isomères SMILES

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

RTECS

DV4900000

Poids moléculaire

216.24

Beilstein

13(2)502

Reaxy-Rn

2725972

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2725972&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Benzidines
          • Level6 3,3'-disubstituted benzidines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Benzidines
• Direct Parent: 3,3'-disubstituted benzidines
• Alternative Parents: o-Aminophenols Aniline and substituted anilines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3,3'-disubstituted benzidine - Aminophenol - O-aminophenol - Aniline or substituted anilines - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Organic nitrogen compound - Primary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 3,3'-disubstituted benzidines. These are organic compounds containing a benzidine skeleton, which is substituted only at the 3- and 3'-positions.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water; Soluble in Dimethylformamide
• Sensibilité: air sensitive
• Point de fusion (°C): 292°C
• Poids moléculaire: 216.240 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 216.09 Da
• Monoisotopic Mass: 216.09 Da
• Topological Polar Surface Area: 92.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 213.000
• 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