2-Bromo-5-methylaniline - ≥97% , CAS No.53078-85-6

CAS: 53078-85-6 Cat. No.: W136366 Summenformel: C₇H₈BrN Molekulargewicht: 186.05 EG-Nummer: 628-662-1 PubChem CID: 6422065

QUALITÄT & REINHEIT ≥97%

Synonyms

2-bromo-5-methylphenylamine|2-bromo-5-methyl-phenylamine|2-Bromo-5-methylbenzenamine|2-Bromo-5-methylaniline|2-bromo-5-methyl-aniline|3-AMINO-4-BROMOTOLUENE|Benzenamine, 2-bromo-5-methyl-|6-BROMO-M-TOLUIDINE|2-BROMO-5-METHYL ANILINE

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Spezifikationen

Synonyme

2-bromo-5-methylphenylamine | 2-bromo-5-methyl-phenylamine | 2-Bromo-5-methylbenzenamine | 2-Bromo-5-methylaniline | 2-bromo-5-methyl-aniline | 3-AMINO-4-BROMOTOLUENE | Benzenamine, 2-bromo-5-methyl- | 6-BROMO-M-TOLUIDINE | 2-BROMO-5-METHYL ANILINE

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504764128

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764128

Kanonisches Lächeln

CC1=CC(=C(C=C1)Br)N

IUPAC Name

2-bromo-5-methylaniline

InChIKey

QTAQWOXSUFGGKH-UHFFFAOYSA-N

INCHI

1S/C7H8BrN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3

Isomere SMILES

CC1=CC(=C(C=C1)Br)N

WGK Deutschland

3

PubChem CID

6422065

Molekulargewicht

186.05

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 Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - 2-bromoaniline - 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 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: air & heat sensitive
• Brechungsindex: 1.60
• Flammpunkt (°F): >230 °F
• Flammpunkt (°C): >110 °C
• Siedepunkt (°C): 130 °C/16 mmHg
• Schmelzpunkt (°C): 33 °C
• Molekulargewicht: 186.050 g/mol
• XLogP3: 2.000
• 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