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

CAS: 53078-85-6 Cat. No.: W136366 Formule: C₇H₈BrN Poids moléculaire: 186.05 Numéro CE: 628-662-1 PubChem CID: 6422065

GRADE & PURITY ≥97%

Synonyms

2-bromo-5-methylphenylamine | 2-bromo-5-methyl-phenylamine | 2-Bromo-5-methylbenzenamine | A19786 | AC-3717 | AB09930 | MFCD01806278 | 2-Bromo-5-methylaniline | 2-bromo-5-methyl-aniline | 2-Bromo-5-methylaniline, 97% | SY019865 | EN300-54643 | 3-AMINO-4-B

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

2-bromo-5-methylphenylamine | 2-bromo-5-methyl-phenylamine | 2-Bromo-5-methylbenzenamine | A19786 | AC-3717 | AB09930 | MFCD01806278 | 2-Bromo-5-methylaniline | 2-bromo-5-methyl-aniline | 2-Bromo-5-methylaniline, 97% | SY019865 | EN300-54643 | 3-AMINO-4-B

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 504764128
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764128
• Sourires canoniques: 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
• Isomères SMILES: CC1=CC(=C(C=C1)Br)N
• WGK Allemagne: 3
• PubChem CID: 6422065
• Poids moléculaire: 186.05

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• 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

Propriétés chimiques et physiques

• Sensibilité: air & heat sensitive
• Indice de réfraction: 1.60
• Point d'éclair (°F): >230 °F
• Point d'éclair (°C): >110 °C
• Point d'ébullition (°C): 130 °C/16 mmHg
• Point de fusion (°C): 33 °C
• Poids moléculaire: 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