4-Bromo-2-ethylaniline - ≥96% , CAS No.45762-41-2

CAS: 45762-41-2 Cat. No.: B301247 Formule: C₈H₁₀BrN Poids moléculaire: 200.08 Numéro CE: 610-270-7

QUALITÉ & PURETÉ ≥96%

Synonyms

4-Bromo-2-ethylaniline | 4-Bromo-2-ethyl-aniline | EN300-103769 | A872337 | 2-Ethyl-4-bromoaniline | FT-0617763 | AKOS002673925 | AMY28142 | 4-Bromo-2-ethylaniline, 96% | 4-bromo-2-ethylbenzenamine | Benzenamine, 4-bromo-2-ethyl- | AS-18847 | DTXSID303842

Storage

Protected from light,Room temperature

Shipped In

Normal

Spécifications

Synonymes

4-Bromo-2-ethylaniline | 4-Bromo-2-ethyl-aniline | EN300-103769 | A872337 | 2-Ethyl-4-bromoaniline | FT-0617763 | AKOS002673925 | AMY28142 | 4-Bromo-2-ethylaniline, 96% | 4-bromo-2-ethylbenzenamine | Benzenamine, 4-bromo-2-ethyl- | AS-18847 | DTXSID303842

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

Pubchem Sid

488194052

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194052

Sourires canoniques

CCC1=C(C=CC(=C1)Br)N

IUPAC Name

4-bromo-2-ethylaniline

InChIKey

LGOZNQPHTIGMQJ-UHFFFAOYSA-N

INCHI

1S/C8H10BrN/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2,10H2,1H3

Isomères SMILES

CCC1=C(C=CC(=C1)Br)N

Poids moléculaire

200.08

Reaxy-Rn

2802710

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802710&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Bromobenzenes Aryl bromides Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 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
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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
• Point d'ébullition (°C): 110-112°/2mm
• Poids moléculaire: 200.080 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 199 Da
• Monoisotopic Mass: 199 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 105.000
• 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