2-Bromobenzene-1,4-diamine - ≥95% , CAS No.13296-69-0

CAS: 13296-69-0 Cat. No.: B586996 Peso molecular: 187.04

GRADE & PURITY ≥95%

Synonyms

AS-33082 | AKOS010988762 | 1,4-Benzenediamine, 2-bromo- | MFCD06411033 | DTXSID70363957 | 1,4-diamino-2-bromobenzene | p-phenylenediamine bromide | SCHEMBL2107238 | 2-Bromo-benzene-1,4-diamine | 2-bromobenzene-1,4-diamine | FT-0647677

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AS-33082 | AKOS010988762 | 1, 4-Benzenediamine, 2-bromo- | MFCD06411033 | DTXSID70363957 | 1, 4-diamino-2-bromobenzene | p-phenylenediamine bromide | SCHEMBL2107238 | 2-Bromo-benzene-1, 4-diamine | 2-bromobenzene-1, 4-diamine | FT-0647677

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1N)Br)N
• IUPAC Name: 2-bromobenzene-1,4-diamine
• InChIKey: NGULVTOQNLILMZ-UHFFFAOYSA-N
• INCHI: 1S/C6H7BrN2/c7-5-3-4(8)1-2-6(5)9/h1-3H,8-9H2
• Isómeros SMILES: C1=CC(=C(C=C1N)Br)N
• Peso molecular: 187.04
• Reaxy-Rn: 2716286
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2716286&ln=

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: 2-bromoanilines
• Alternative Parents: Bromobenzenes Aryl bromides Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-bromoaniline - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-bromoanilines. These are organic compounds that contain an aniline carrying a bromine atom at the C2-position.
• 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

• Sensibilidad: Light sensitive
• Peso molecular: 187.040 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 185.979 Da
• Monoisotopic Mass: 185.979 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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