1-Bromo-2-phenoxybenzene - ≥98% , CAS No.7025-06-1

CAS: 7025-06-1 Cat. No.: B194679 Molecular Weight: 249.1 EC Number: 812-295-0

GRADE & PURITY ≥98%

Synonyms

Benzene, 1-bromo-2-phenoxy- | UNII-L4V1943Q2T | BDE No 1, analytical standard | RRWFUWRLNIZICP-UHFFFAOYSA-N | 1-bromo-2-(phenoxy)benzene | 54J1HY6KA8 | SY119824 | UNII-54J1HY6KA8 | STK098855 | MFCD00626462 | DS-15384 | PBDE 001 | A905913 | EN300-1869583 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Benzene, 1-bromo-2-phenoxy- | UNII-L4V1943Q2T | BDE No 1, analytical standard | RRWFUWRLNIZICP-UHFFFAOYSA-N | 1-bromo-2-(phenoxy)benzene | 54J1HY6KA8 | SY119824 | UNII-54J1HY6KA8 | STK098855 | MFCD00626462 | DS-15384 | PBDE 001 | A905913 | EN300-1869583 |

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753558
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753558
• Canonical Smiles: C1=CC=C(C=C1)OC2=CC=CC=C2Br
• IUPAC Name: 1-bromo-2-phenoxybenzene
• InChIKey: RRWFUWRLNIZICP-UHFFFAOYSA-N
• INCHI: 1S/C12H9BrO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
• Isomeric SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2Br
• Molecular Weight: 249.1
• Reaxy-Rn: 2047194
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047194&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 Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromodiphenyl ether - Diaryl ether - Phenoxy compound - Phenol ether - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - 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

• Molecular Weight: 249.100 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 247.984 Da
• Monoisotopic Mass: 247.984 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 166.000
• 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

References

1. Junhui He, Nan Wang, Lihua Zhu, Long Zhao.  (2026)  Efficient remediation of PBDEs in soil by combined chemical leaching and electron beam irradiation.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:41529628] [10.1016/j.jhazmat.2026.141128]