2-Bromo-N,N-dimethylaniline - ≥98% , CAS No.698-00-0

CAS: 698-00-0 Cat. No.: B119882 Molecular Weight: 200.08 Beilstein Registry Number: 2205741 EC Number: 615-013-2

GRADE & PURITY ≥98%

Synonyms

2-BROMO-N,N-DIMETHYLANILINE;N,N-DIMETHYL-2-BROMOANILINE;O-BROMO-N,N'-DIMETHYLANILINE;O-BROMO-N,N-DIMETHYLANILINE;2-bromo-N,N-dimethylbenzenamine | BS-17453 | SCHEMBL545805 | SY024924 | AKOS005206891 | Chloral, anhydrous, inhibited | bromo-N,N-dimethylanil

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Application

2-Bromo-N,N-dimethylaniline may be used in the synthesis of the following:

bis(2-dimethylamino)phenylamine via a multi-step reaction procedure

2-(N,N-dimethylaminophenyl)-bis(diethylamino)phosphine

6-2-(dimethylamino)phenyl-2,2-bipyridine obtained via lithiation followed by reaction with 2,2-bipyridine

1-(2′-(dimethylamino)phenyl)-2-diphenylphosphino-3-methylimidazolium trifluoromethanesulfonate via a multi-step reaction procedure

Specifications

Synonyms

2-BROMO-N, N-DIMETHYLANILINE;N, N-DIMETHYL-2-BROMOANILINE;O-BROMO-N, N'-DIMETHYLANILINE;O-BROMO-N, N-DIMETHYLANILINE;2-bromo-N, N-dimethylbenzenamine | BS-17453 | SCHEMBL545805 | SY024924 | AKOS005206891 | Chloral, anhydrous, inhibited | bromo-N, N-dimethylanil

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187879
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187879
• Canonical Smiles: CN(C)C1=CC=CC=C1Br
• IUPAC Name: 2-bromo-N,N-dimethylaniline
• InChIKey: ONMSBNJJCUCYED-UHFFFAOYSA-N
• INCHI: 1S/C8H10BrN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
• Isomeric SMILES: CN(C)C1=CC=CC=C1Br
• WGK Germany: 3
• UN Number: 2810
• Packing Group: III
• Molecular Weight: 200.08
• Beilstein: 2205741
• Reaxy-Rn: 2205741
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205741&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: 2-bromoanilines Bromobenzenes Aryl bromides Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Dialkylarylamine - 2-bromoaniline - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Organopnictogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Air & Light sensitive
• Refractive Index: 1.5745
• Flash Point(°C): 90 °C
• Boil Point(°C): 108 °C/14 mmHg
• Molecular Weight: 200.080 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 199 Da
• Monoisotopic Mass: 199 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 103.000
• 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