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

CAS: 50768-75-7 Cat. No.: D117695 Molecular Weight: 262.10532 EC Number: 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

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

Specifications & Purity

AR

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

AR

Names and Identifiers

• Pubchem Sid: 504762872
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762872
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=C(C=C1N)N)N=NC2=NC=C(C=C2)Br
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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