4-Bromo-N,N-diethylaniline - ≥97% , CAS No.2052-06-4

CAS: 2052-06-4 Cat. No.: B151823 Fórmula: C₁₀H₁₄BrN Peso molecular: 228.13 Beilstein Registry Number: 12(4)1500 Número CE: 218-140-8

GRADE & PURITY ≥97%

Synonyms

(4-bromo-phenyl)diethylamine | (4-Bromo-phenyl)-diethyl-amine | (4-bromophenyl)-diethyl-amine | 4-Bromo-N,N-diethylaniline, 97% | Benzenamine, 4-bromo-N,N-diethyl- | NSC8071 | NSC-8071 | SY007850 | SCHEMBL381900 | 4-bromo-n,n-diethylbenzenamine | Aniline,

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

(4-bromo-phenyl)diethylamine | (4-Bromo-phenyl)-diethyl-amine | (4-bromophenyl)-diethyl-amine | 4-Bromo-N,N-diethylaniline, 97% | Benzenamine, 4-bromo-N,N-diethyl- | NSC8071 | NSC-8071 | SY007850 | SCHEMBL381900 | 4-bromo-n,n-diethylbenzenamine | Aniline,

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 488182232
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182232
• Sorrisos canónicos: CCN(CC)C1=CC=C(C=C1)Br
• IUPAC Name: 4-bromo-N,N-diethylaniline
• InChIKey: NGYMZFJVHHKJQR-UHFFFAOYSA-N
• INCHI: 1S/C10H14BrN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
• SMILES isoméricas: CCN(CC)C1=CC=C(C=C1)Br
• Peso molecular: 228.13
• Beilstein: 12(4)1500
• Reaxy-Rn: 2803424
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803424&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aniline and substituted anilines Bromobenzenes Aryl bromides Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Organopnictogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

Propriedades químicas e físicas

• Solubilidade: Insoluble in water.
• Sensibilidade: air sensitive ；light sensitive；heat sensitive
• Ponto de ebulição (°C): 215°C(lit.)
• Ponto de fusão (°C): 32-33 °C
• Peso molecular: 228.130 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 227.031 Da
• Monoisotopic Mass: 227.031 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 115.000
• 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