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

CAS: 53848-17-2 Cat. No.: B589399 Formule: C₇H₈BrN Poids moléculaire: 186.05 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

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

Expédié en

Wet ice

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

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508808356

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

CAS alternatif

53848-17-2

Poids moléculaire

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
    • 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 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
• 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: light sensitive
• Indice de réfraction: 1.603
• Point d'éclair (°F): 213.8 °F
• Point d'éclair (°C): 101 °C
• Point d'ébullition (°C): 105-107°C/205mmHg
• Poids moléculaire: 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