4-Bromo-2,3,5,6-tetramethylaniline - ≥97% , CAS No.53965-69-8

CAS: 53965-69-8 Cat. No.: B185087 Summenformel: C₁₀H₁₄BrN Molekulargewicht: 228.1

GRADE & PURITY ≥97%

Synonyms

DTXSID10429107 | AKOS015908364 | BS-28773 | D95003 | MFCD09260833 | 4-bromo-2,3,5,6-tetramethylphenylamine | 4-bromo-2,3,5,6-tetramethylaniline | 3-Amino-6-bromodurene | AE-562/43287132

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

DTXSID10429107 | AKOS015908364 | BS-28773 | D95003 | MFCD09260833 | 4-bromo-2,3,5,6-tetramethylphenylamine | 4-bromo-2,3,5,6-tetramethylaniline | 3-Amino-6-bromodurene | AE-562/43287132

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CC1=C(C(=C(C(=C1N)C)C)Br)C
• IUPAC Name: 4-bromo-2,3,5,6-tetramethylaniline
• InChIKey: VENKISSLGWHCOE-UHFFFAOYSA-N
• INCHI: 1S/C10H14BrN/c1-5-7(3)10(12)8(4)6(2)9(5)11/h12H2,1-4H3
• Isomere SMILES: CC1=C(C(=C(C(=C1N)C)C)Br)C
• Molekulargewicht: 228.1
• Reaxy-Rn: 3242726
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3242726&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Bromobenzenes Aryl bromides Primary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 228.130 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 227.031 Da
• Monoisotopic Mass: 227.031 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 144.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 53965-69-8, the molecular formula is C10H14BrN, and the molecular weight is 228.1 g/mol. InChIKey VENKISSLGWHCOE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.