4-(4-Bromophenoxy)phenol - ≥97% , CAS No.13320-48-4

CAS: 13320-48-4 Cat. No.: B351130 Fórmula: C₁₂H₉BrO₂ Peso molecular: 265.1 Número EC: 627-203-2

GRADE & PURITY ≥97%

Synonyms

HMBBTPMHPQGJMR-UHFFFAOYSA-N | Phenol, 4-(4-bromophenoxy)- | J-006331 | AKOS002679790 | 4-(4-Bromophenoxy)phenol, 97% | DTXSID60574237 | BS-53090 | SCHEMBL7938161 | D97307 | 4-(4-Bromophenoxy)phenol | 4-(4-Bromo-phenoxy)-phenol | MFCD08446910

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

HMBBTPMHPQGJMR-UHFFFAOYSA-N | Phenol, 4-(4-bromophenoxy)- | J-006331 | AKOS002679790 | 4-(4-Bromophenoxy)phenol, 97% | DTXSID60574237 | BS-53090 | SCHEMBL7938161 | D97307 | 4-(4-Bromophenoxy)phenol | 4-(4-Bromo-phenoxy)-phenol | MFCD08446910

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 508809761
• Sonrisas canónicas: C1=CC(=CC=C1O)OC2=CC=C(C=C2)Br
• IUPAC Name: 4-(4-bromophenoxy)phenol
• InChIKey: HMBBTPMHPQGJMR-UHFFFAOYSA-N
• INCHI: 1S/C12H9BrO2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H
• Isómeros SMILES: C1=CC(=CC=C1O)OC2=CC=C(C=C2)Br
• WGK Alemania: 3
• Peso molecular: 265.1
• Reaxy-Rn: 2104634
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2104634&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromodiphenyl ethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromodiphenyl ether - Diaryl ether - Phenoxy compound - Phenol ether - Bromobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Aryl halide - Aryl bromide - Ether - Organohalogen compound - Organic oxygen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromodiphenyl ethers. These are compounds that contain two benzene groups linked to each other via an ether bond, and where at least one ring is substituted with a bromo 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.；Light sensitive；Heat sensitive
• Punto de fusión (°C): 73-78° C
• Peso molecular: 265.100 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 263.979 Da
• Monoisotopic Mass: 263.979 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 182.000
• 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