2,6-dibromoaniline - ≥97% , CAS No.608-30-0

CAS: 608-30-0 Cat. No.: D134505 Peso molecular: 250.92 Beilstein Registry Number: 2207090 Número EC: 210-158-4

GRADE & PURITY ≥97%

Synonyms

A8467 | SCHEMBL416374 | Aniline, 2,6-dibromo- | EN300-113444 | NSC305 | NSC-305 | BBL101629 | AM61602 | BCP04817 | TD1223 | EINECS 210-158-4 | NSC 305 | W-105227 | (2,6-dibromo-phenyl)-amine | STR01809 | 2,6-Dibromoaniline | 2,6-dibromo-aniline | SY348694

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

2,6-Dibromoaniline was used in the synthesis of 2,4,5-tribromoaniline1. It was also used as starting reagent in the regioselective synthesis of 2-(3,4-dimethoxyphenyl)-5-bromobenzothiazole.

Specifications

Sinónimos

A8467 | SCHEMBL416374 | Aniline, 2, 6-dibromo- | EN300-113444 | NSC305 | NSC-305 | BBL101629 | AM61602 | BCP04817 | TD1223 | EINECS 210-158-4 | NSC 305 | W-105227 | (2, 6-dibromo-phenyl)-amine | STR01809 | 2, 6-Dibromoaniline | 2, 6-dibromo-aniline | SY348694

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488184212
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184212
• Sonrisas canónicas: C1=CC(=C(C(=C1)Br)N)Br
• IUPAC Name: 2,6-dibromoaniline
• InChIKey: XIRRDAWDNHRRLB-UHFFFAOYSA-N
• INCHI: 1S/C6H5Br2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
• Isómeros SMILES: C1=CC(=C(C(=C1)Br)N)Br
• WGK Alemania: 3
• Peso molecular: 250.92
• Beilstein: 2207090
• Reaxy-Rn: 2207094
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207094&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

• Solubilidad: Insoluble in water
• Sensibilidad: air sensitive
• Punto de ebullición (°C): 262-264 °C
• Punto de fusión (°C): 80-82°C
• Peso molecular: 250.920 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 250.877 Da
• Monoisotopic Mass: 248.879 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 87.100
• 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