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

CAS: 45762-41-2 Cat. No.: B301247 Formula: C₈H₁₀BrN Peso molecolare: 200.08 Numero EC: 610-270-7

GRADE & PURITY ≥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

Specifications

Sinonimi

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

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature

Spedito in

Normal

Purezza

≥96%

Nomi e identificatori

• Pubchem Sid: 488194052
• Sorrisi canonici: 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
• Isomeri SMILES: CCC1=C(C=CC(=C1)Br)N
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: light sensitive
• Punto di ebollizione (°C): 110-112°/2mm
• Peso molecolare: 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