GRADE & PURITY ≥95%

Synonyms

3-Oxa-8-azabicyclo(3,2,1)octane | 4,6-Dibromo-o-toluidine | 2,4-dibromo-6-methylphenylamine | 2-Amino-3,5-dibromotoluene; 4,6-Dibromo-o-toluidine | SY064169 | 3,5-dibromo-2-aminotoluene | BCP19337 | DTXSID30332548 | MFCD00735681 | SCHEMBL109929 | A19643 |

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

3-Oxa-8-azabicyclo(3, 2, 1)octane | 4, 6-Dibromo-o-toluidine | 2, 4-dibromo-6-methylphenylamine | 2-Amino-3, 5-dibromotoluene; 4, 6-Dibromo-o-toluidine | SY064169 | 3, 5-dibromo-2-aminotoluene | BCP19337 | DTXSID30332548 | MFCD00735681 | SCHEMBL109929 | A19643 |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Desiccated

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: CC1=CC(=CC(=C1N)Br)Br
• IUPAC Name: 2,4-dibromo-6-methylaniline
• InChIKey: LOOOTYOQFFOBCI-UHFFFAOYSA-N
• INCHI: 1S/C7H7Br2N/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
• Isómeros SMILES: CC1=CC(=CC(=C1N)Br)Br
• Peso molecular: 264.95
• Reaxy-Rn: 2717135
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2717135&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: 2-bromoanilines Bromobenzenes Aryl bromides Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-bromoaniline - Aniline or substituted anilines - Aminotoluene - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
• 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

• Punto de fusión (°C): 45-46°
• Peso molecular: 264.940 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 264.892 Da
• Monoisotopic Mass: 262.895 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 118.000
• 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