3-Bromophenethylamine - ≥98% , CAS No.58971-11-2

CAS: 58971-11-2 Cat. No.: B101708 Formula: BrC₆H₄(CH₂)₂NH₂ Peso molecolare: 200.08 Numero EC: 629-414-5

GRADE & PURITY ≥98%

Synonyms

(3-bromophenyl)ethylamine | 5-(Phenylamino)-1,3,4-thiatriazole | AKOS000160050 | AB08439 | AKOS006223908 | AMY20200 | Z285143760 | [2-(3-bromophenyl)ethyl]amine | EN300-77239 | B3947 | BENZENEETHANAMINE, 3-BROMO- | m-bromophenethylamine | 3-bromo-phenethy

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinonimi

(3-bromophenyl)ethylamine | 5-(Phenylamino)-1,3,4-thiatriazole | AKOS000160050 | AB08439 | AKOS006223908 | AMY20200 | Z285143760 | [2-(3-bromophenyl)ethyl]amine | EN300-77239 | B3947 | BENZENEETHANAMINE, 3-BROMO- | m-bromophenethylamine | 3-bromo-phenethy

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Argon charged,Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 508817019
• Sorrisi canonici: C1=CC(=CC(=C1)Br)CCN
• IUPAC Name: 2-(3-bromophenyl)ethanamine
• InChIKey: ORHRHMLEFQBHND-UHFFFAOYSA-N
• INCHI: 1S/C8H10BrN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2
• Isomeri SMILES: C1=CC(=CC(=C1)Br)CCN
• WGK Germania: 3
• Numero UN: 2735
• Peso molecolare: 200.08
• Reaxy-Rn: 2716071
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2716071&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: 2-arylethylamines Bromobenzenes Aralkylamines Aryl bromides Organobromides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - 2-arylethylamine - Bromobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl bromide - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Amine - Primary amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light & air sensitive.
• Indice di rifrazione: 1.574
• Punto di infiammabilità (°F): >230 °F
• Punto di infiammabilità (°C): >110 °C
• Punto di ebollizione (°C): 239-240°C
• Peso molecolare: 200.080 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199 Da
• Monoisotopic Mass: 199 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.300
• 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