2,5-Diaminotolueno - ≥98%(GC) , CAS No.95-70-5

CAS: 95-70-5 Cat. No.: D154484 Peso molecular: 122.17 Número EC: 202-442-1

GRADE & PURITY ≥98%(GC)

Synonyms

1,4-Bencenodiamina, 2-metil- | MFCD00035779 | CCRIS 7693 | HSDB 6251 | PARATOLUENEDIAMINA | para-Toluenoediamina | para-Toluylendiamina | p-toluylendiamina | 2,5-DIAMINOTOLUENO [IARC] | 24JO8Z0RJU | TOLUENO-2,5-DIAMINA [INCI] | 1-metil-2,5-diaminobenceno

Storage

Conservar a 2-8°C,Protegido de la luz,Cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

1, 4-Bencenodiamina, 2-metil- | MFCD00035779 | CCRIS 7693 | HSDB 6251 | PARATOLUENEDIAMINA | para-Toluenoediamina | para-Toluylendiamina | p-toluylendiamina | 2, 5-DIAMINOTOLUENO [IARC] | 24JO8Z0RJU | TOLUENO-2, 5-DIAMINA [INCI] | 1-metil-2, 5-diaminobenceno

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Protegido de la luz, Cargado con argón

Enviado en

Hielo húmedo

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488180356
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180356
• Sonrisas canónicas: CC1=C(C=CC(=C1)N)N
• IUPAC Name: 2-methylbenzene-1,4-diamine
• InChIKey: OBCSAIDCZQSFQH-UHFFFAOYSA-N
• INCHI: 1S/C7H10N2/c1-5-4-6(8)2-3-7(5)9/h2-4H,8-9H2,1H3
• Isómeros SMILES: CC1=C(C=CC(=C1)N)N
• RTECS: XS9700000
• Peso molecular: 122.17
• Reaxy-Rn: 774521
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774521&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Toluenes
        • Level5 Aminotoluenes
          • Level6 Diaminotoluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Aminotoluenes
• Direct Parent: Diaminotoluenes
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diaminotoluene - 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 diaminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group exactly 2 amino groups.
• External Descriptors: diamine

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: Soluble in water
• Sensibilidad: light & air sensitive
• Punto de ebullición (°C): 168°C
• Punto de fusión (°C): 62 °C
• Peso molecular: 122.170 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 122.084 Da
• Monoisotopic Mass: 122.084 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 92.900
• 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