2-Bromo-4-ethylphenol - ≥95% , CAS No.64080-15-5

CAS: 64080-15-5 Cat. No.: B589769 Summenformel: C₈H₉OBr Molekulargewicht: 201.06

GRADE & PURITY ≥95%

Synonyms

SCHEMBL1438878 | AKOS000319648 | 2-BROMO-4-ETHYLPHENOL | 2-bromo-4-ethyl-phenol | AMY8688 | FT-0737217 | DS-9992 | DTXSID40586378 | 2-bromo-4-ethyl phenol | XAVFMOSJCDSLCQ-UHFFFAOYSA-N | SY321386 | MFCD01593653 | Phenol, 2-bromo-4-ethyl- | PB43208 | 1-(3-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

SCHEMBL1438878 | AKOS000319648 | 2-BROMO-4-ETHYLPHENOL | 2-bromo-4-ethyl-phenol | AMY8688 | FT-0737217 | DS-9992 | DTXSID40586378 | 2-bromo-4-ethyl phenol | XAVFMOSJCDSLCQ-UHFFFAOYSA-N | SY321386 | MFCD01593653 | Phenol, 2-bromo-4-ethyl- | PB43208 | 1-(3-

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 508808320
• Kanonisches Lächeln: CCC1=CC(=C(C=C1)O)Br
• IUPAC Name: 2-bromo-4-ethylphenol
• InChIKey: XAVFMOSJCDSLCQ-UHFFFAOYSA-N
• INCHI: 1S/C8H9BrO/c1-2-6-3-4-8(10)7(9)5-6/h3-5,10H,2H2,1H3
• Isomere SMILES: CCC1=CC(=C(C=C1)O)Br
• Alternative CAS-Nummer: 64080-15-5
• Molekulargewicht: 201.06
• Reaxy-Rn: 2553755
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2553755&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Halophenols
        • Ebene5 Bromophenols
          • Ebene6 O-bromophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Bromophenols
• Direct Parent: O-bromophenols
• Alternative Parents: Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as o-bromophenols. These are bromophenols carrying a iodine at the C2 position of the benzene ring.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 201.060 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 199.984 Da
• Monoisotopic Mass: 199.984 Da
• Topological Polar Surface Area: 20.200 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