1,3-Diamino-4-(5-bromo-2-pyridylazo)benzene - AR , CAS No.50768-75-7

CAS: 50768-75-7 Cat. No.: D117695 Peso molecular: 262.10532 Número EC: 634-867-7

GRADE & PURITY AR

Synonyms

50768-75-7|4-((5-Bromopyridin-2-yl)diazenyl)benzene-1,3-diamine|4-(5-Bromo-2-pyridylazo)-m-phenylenediamine|4-[(5-bromopyridin-2-yl)diazenyl]benzene-1,3-diamine|1,3-Diamino-4-(5-bromo-2-pyridylazo)benzene|SCHEMBL5572805|MFCD03791126|AKOS015903016|F71558|A

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

50768-75-7 | 4-((5-Bromopyridin-2-yl)diazenyl)benzene-1, 3-diamine | 4-(5-Bromo-2-pyridylazo)-m-phenylenediamine | 4-[(5-bromopyridin-2-yl)diazenyl]benzene-1, 3-diamine | 1, 3-Diamino-4-(5-bromo-2-pyridylazo)benzene | SCHEMBL5572805 | MFCD03791126 | AKOS015903016 | F71558 | A

Especificaciones y pureza

AR

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Grado

AR

Nombres e identificadores

• Pubchem Sid: 504762872
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762872
• Sonrisas canónicas: C1=CC(=C(C=C1N)N)N=NC2=NC=C(C=C2)Br
• IUPAC Name: 4-[(5-bromopyridin-2-yl)diazenyl]benzene-1,3-diamine
• InChIKey: XHJGETUGTPYUKU-UHFFFAOYSA-N
• INCHI: 1S/C11H10BrN5/c12-7-1-4-11(15-6-7)17-16-10-3-2-8(13)5-9(10)14/h1-6H,13-14H2
• Isómeros SMILES: C1=CC(=C(C=C1N)N)N=NC2=NC=C(C=C2)Br
• Peso molecular: 262.10532
• Reaxy-Rn: 33193254
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33193254&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: Aniline and substituted anilines
• Alternative Parents: Pyridines and derivatives Aryl bromides Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aniline or substituted anilines - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Azo compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic nitrogen compound - Amine - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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

• Peso molecular: 292.130 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 291.012 Da
• Monoisotopic Mass: 291.012 Da
• Topological Polar Surface Area: 89.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 273.000
• 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