2-Bromo-6-methylaniline - ≥98% , CAS No.53848-17-2

CAS: 53848-17-2 Cat. No.: B589399 Summenformel: C₇H₈BrN Molekulargewicht: 186.05 EG-Nummer: 626-502-5

GRADE & PURITY ≥98%

Synonyms

AKOS005255054 | FT-0611513 | 2-BROMO-6-METHYLBENZENAMINE | Benzenamine, 2-bromo-6-methyl- | 2-Bromo-6-methyl-phenylamine | Brom-amino-toluol | CL8391 | BB 0258136 | MB03160 | GEO-00491 | AM20060661 | DTXSID90373311 | LDUCMSVRKKDATH-UHFFFAOYSA-N | SCHEMBL2

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

AKOS005255054 | FT-0611513 | 2-BROMO-6-METHYLBENZENAMINE | Benzenamine, 2-bromo-6-methyl- | 2-Bromo-6-methyl-phenylamine | Brom-amino-toluol | CL8391 | BB 0258136 | MB03160 | GEO-00491 | AM20060661 | DTXSID90373311 | LDUCMSVRKKDATH-UHFFFAOYSA-N | SCHEMBL2

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light,Desiccated

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 508808356
• Kanonisches Lächeln: CC1=C(C(=CC=C1)Br)N
• IUPAC Name: 2-bromo-6-methylaniline
• InChIKey: LDUCMSVRKKDATH-UHFFFAOYSA-N
• INCHI: 1S/C7H8BrN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3
• Isomere SMILES: CC1=C(C(=CC=C1)Br)N
• WGK Deutschland: 3
• Alternative CAS-Nummer: 53848-17-2
• Molekulargewicht: 186.05
• Reaxy-Rn: 2828385
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2828385&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: light sensitive
• Brechungsindex: 1.603
• Flammpunkt (°F): 213.8 °F
• Flammpunkt (°C): 101 °C
• Siedepunkt (°C): 105-107°C/205mmHg
• 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