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

CAS: 13320-48-4 Cat. No.: B351130 Formula: C₁₂H₉BrO₂ Molecular Weight: 265.1 EC Number: 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

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

Specifications & Purity

≥97%

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 508809761
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=CC=C1O)OC2=CC=C(C=C2)Br
• WGK Germany: 3
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.；Light sensitive；Heat sensitive
• Melt Point(°C): 73-78° C
• Molecular Weight: 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