4-Bromo-2-methylaniline - ≥98% , CAS No.583-75-5

CAS: 583-75-5 Cat. No.: B100843 Fórmula: C₇H₈BrN Peso molecular: 186.05 Beilstein Registry Number: 12838 Número CE: 209-519-9

GRAU & PUREZA ≥98%

Synonyms

EN300-21104 | AKOS000121494 | BCP23023 | 4-bromo-2-methylphenylamine | MFCD00007825 | 4-bromo-2-methylbenzenamine | EINECS 209-519-9 | STK286022 | F3099-6376 | FT-0658634 | 1-amino-4-bromo-2-methylbenzene | 4-Bromo-o-toluidine | InChI=1/C7H8BrN/c1-5-4-6(8

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Especificações

Sinónimos

EN300-21104 | AKOS000121494 | BCP23023 | 4-bromo-2-methylphenylamine | MFCD00007825 | 4-bromo-2-methylbenzenamine | EINECS 209-519-9 | STK286022 | F3099-6376 | FT-0658634 | 1-amino-4-bromo-2-methylbenzene | 4-Bromo-o-toluidine | InChI=1/C7H8BrN/c1-5-4-6(8

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488181336

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181336

Sorrisos canónicos

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

IUPAC Name

4-bromo-2-methylaniline

InChIKey

PCHYYOCUCGCSBU-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

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

WGK Alemanha

3

RTECS

XU4250000

Peso molecular

186.05

Beilstein

12838

Reaxy-Rn

636521

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636521&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: Aniline and substituted anilines Bromobenzenes Aryl bromides Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: air sensitive& heat sensitive
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 240°C
• Ponto de fusão (°C): 57-59°C
• Peso molecular: 186.050 g/mol
• XLogP3: 1.900
• 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