dihidrocloruro de 1,2,4-triaminobenceno - ≥95% , CAS No.615-47-4

CAS: 615-47-4 Cat. No.: T162209 Peso molecular: 196.08 Número EC: 210-428-1

GRADE & PURITY ≥95%

Synonyms

1,2,4-Benzenetriamina dihidrocloruro | 1,2,4-Triaminobenceno dihidrocloruro | benceno-1,2,4-triaminedihidrocloruro | benceno-1,2,4-triamina;dihidrocloruro | 1,2,4-triaminobenceno DiHCl | benceno-1,2,4-triamina dihidrocloruro | 1,2,4-Benzenetriamina,

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Es una importante materia prima e intermedio utilizado en síntesis orgánica, productos farmacéuticos, agroquímicos y colorantes.

Specifications

Sinónimos

1, 2, 4-Benzenetriamina dihidrocloruro | 1, 2, 4-Triaminobenceno dihidrocloruro | benceno-1, 2, 4-triaminedihidrocloruro | benceno-1, 2, 4-triamina;dihidrocloruro | 1, 2, 4-triaminobenceno DiHCl | benceno-1, 2, 4-triamina dihidrocloruro | 1, 2, 4-Benzenetriamina,

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488186812
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186812
• Sonrisas canónicas: C1=CC(=C(C=C1N)N)N.Cl.Cl
• IUPAC Name: benzene-1,2,4-triamine;dihydrochloride
• InChIKey: RKMFFOLUBJFMBQ-UHFFFAOYSA-N
• INCHI: 1S/C6H9N3.2ClH/c7-4-1-2-5(8)6(9)3-4;;/h1-3H,7-9H2;2*1H
• Isómeros SMILES: C1=CC(=C(C=C1N)N)N.Cl.Cl
• RTECS: DC1953000
• CAS alternativo: 615-71-4
• Peso molecular: 196.08
• Reaxy-Rn: 3694839

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Primary amines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Sensibilidad: Air & Moisture Sensitive
• Punto de fusión (°C): 290℃
• Peso molecular: 196.070 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 195.033 Da
• Monoisotopic Mass: 195.033 Da
• Topological Polar Surface Area: 78.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 94.300
• 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: 3

XLogP3

Referencias

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