2,6-Dibromo-4-methylaniline - ≥98%(GC) , CAS No.6968-24-7

CAS: 6968-24-7 Cat. No.: D154485 Molecular Weight: 264.95 Beilstein Registry Number: 12(4)1996 EC Number: 230-182-9

GRADE & PURITY ≥98%(GC)

Synonyms

NSC20674 | NSC-20674 | 3-Acetylpyridine NAD | AKOS000119147 | EINECS 230-182-9 | 2,6-Dibromo-p-toluidine | D3577 | BBL020090 | AM20041029 | 2,6-dibromo-4-methylphenylamine | InChI=1/C7H7Br2N/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H | MFCD00007641 | 2,6-Dibro

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

application：

2,6-Dibromo-4-methylaniline is used as coupling reagent in spectrophotometric determination of carbaryl in various environmental samples. It was also in preparation of 2-bromo-6-iodo-4-methylaniline. 2,6-Dibromo-4-methylaniline undergoes Suzuki-coupling reaction with 2-dihydroxyboryl-3-methyl-2-cyclopenten-1-one during synthesis of the dinuclear dichlorotitanium complexes. 2,6-Dibromo-4-methylaniline is also used as an intermediate for the synthesis of pharmaceutucals, agrochemicals, dyes and other organic chemicals.

Specifications

Synonyms

NSC20674 | NSC-20674 | 3-Acetylpyridine NAD | AKOS000119147 | EINECS 230-182-9 | 2, 6-Dibromo-p-toluidine | D3577 | BBL020090 | AM20041029 | 2, 6-dibromo-4-methylphenylamine | InChI=1/C7H7Br2N/c1-4-2-5(8)7(10)6(9)3-4/h2-3H, 10H2, 1H | MFCD00007641 | 2, 6-Dibro

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488185964
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185964
• Canonical Smiles: CC1=CC(=C(C(=C1)Br)N)Br
• IUPAC Name: 2,6-dibromo-4-methylaniline
• InChIKey: ATDIROHVRVQMRO-UHFFFAOYSA-N
• INCHI: 1S/C7H7Br2N/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3
• Isomeric SMILES: CC1=CC(=C(C(=C1)Br)N)Br
• WGK Germany: 3
• Molecular Weight: 264.95
• Beilstein: 12(4)1996
• Reaxy-Rn: 2085782
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2085782&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Sensitivity: air sensitive
• Melt Point(°C): 72-76°C
• Molecular Weight: 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: 106.000
• 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