2-Bromo-3-methylaniline - ≥98% , CAS No.54879-20-8

CAS: 54879-20-8 Cat. No.: B124234 Summenformel: Br(CH₃)C₆H₃NH₂ Molekulargewicht: 186.06 EG-Nummer: 627-752-8

GRADE & PURITY ≥98%

Synonyms

DTXSID30345330 | J-508231 | Benzenamine, 2-bromo-3-methyl- | 2-bromo-3-methyl aniline | 2-bromo-3-methyl-phenylamine | A7968 | AS-18412 | CL8387 | EN300-100622 | FT-0651192 | 2-Bromo-3-methylaniline | 2-Bromo-3-methylaniline, 98% | AKOS015835169 | SY02069

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

DTXSID30345330 | J-508231 | Benzenamine, 2-bromo-3-methyl- | 2-bromo-3-methyl aniline | 2-bromo-3-methyl-phenylamine | A7968 | AS-18412 | CL8387 | EN300-100622 | FT-0651192 | 2-Bromo-3-methylaniline | 2-Bromo-3-methylaniline, 98% | AKOS015835169 | SY02069

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504759482
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759482
• Kanonisches Lächeln: CC1=C(C(=CC=C1)N)Br
• IUPAC Name: 2-bromo-3-methylaniline
• InChIKey: VJNUZLYTGSGDHR-UHFFFAOYSA-N
• INCHI: 1S/C7H8BrN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3
• Isomere SMILES: CC1=C(C(=CC=C1)N)Br
• Molekulargewicht: 186.06
• Reaxy-Rn: 2079474
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2079474&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Heat sensitive
• Siedepunkt (°C): 48°C/0.03mmHg
• Molekulargewicht: 186.050 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 184.984 Da
• Monoisotopic Mass: 184.984 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 54879-20-8, the molecular formula is C7H8BrN, and the molecular weight is 186.06 g/mol. InChIKey VJNUZLYTGSGDHR-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.