3-Bromo-N-methylaniline - ≥98% , CAS No.66584-32-5

CAS: 66584-32-5 Cat. No.: B194483 Fórmula: C₇H₈BrN Peso molecular: 186.05 Número EC: 613-950-1

GRADE & PURITY ≥98%

Synonyms

AMY9475 | EN300-45228 | BP-21282 | 3-Bromo-N-methylaniline | DS-5756 | (3-bromophenyl)methylamine | (3-bromo-phenyl)-methyl-amine | (3-bromophenyl)-methylamine | SY104448 | A853448 | 3-bromo-N-methyl aniline | n-methyl-3-bromoaniline | F14680 | SCHEMBL208

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

AMY9475 | EN300-45228 | BP-21282 | 3-Bromo-N-methylaniline | DS-5756 | (3-bromophenyl)methylamine | (3-bromo-phenyl)-methyl-amine | (3-bromophenyl)-methylamine | SY104448 | A853448 | 3-bromo-N-methyl aniline | n-methyl-3-bromoaniline | F14680 | SCHEMBL208

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488196080

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196080

Sonrisas canónicas

CNC1=CC(=CC=C1)Br

IUPAC Name

3-bromo-N-methylaniline

InChIKey

HKOSFZXROYRVJT-UHFFFAOYSA-N

INCHI

1S/C7H8BrN/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,1H3

Isómeros SMILES

CNC1=CC(=CC=C1)Br

Peso molecular

186.05

Reaxy-Rn

2078617

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2078617&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Aralkylamines
          • Level6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Aralkylamines
• Direct Parent: Phenylalkylamines
• Alternative Parents: Aniline and substituted anilines Secondary alkylarylamines Bromobenzenes Aryl bromides Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Secondary amine - Organopnictogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl 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

• Índice de refracción: n20/D 1.6120
• Punto de inflamación (°F): 230°F
• Punto de inflamación (°C): >110°
• Punto de ebullición (°C): 253°C
• Peso molecular: 186.050 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 184.984 Da
• Monoisotopic Mass: 184.984 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 85.000
• 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