Bis(4-bromophenyl) ether - ≥99% , CAS No.2050-47-7

CAS: 2050-47-7 Cat. No.: B102475 Formula: (BrC₆H₄)₂O Molecular Weight: 328 Beilstein Registry Number: 6(4)1048 EC Number: 218-090-7

GRADE & PURITY ≥99%

Synonyms

4,4'-Dibromodiphenyl oxide | Benzene,1'-oxybis[4-bromo- | CAS-2050-47-7 | PBDE 15 | EN300-1663277 | ETHER, BIS(4-BROMOPHENYL) | FT-0617911 | AKOS005258195 | B0834 | Bis(4-bromophenyl) ether, 99% | MFCD00000095 | NSC 9487 | NSC 1787 | di(4-Bromophenyl)ethe

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Bis-(4-bromophenyl)-ether has been used in the preparation of 4-[4′-(diethoxyphosphoryl)phenoxy]phenyl-phosphonic acid diethyl ester.

Specifications

Synonyms

4,4'-Dibromodiphenyl oxide | Benzene,1'-oxybis[4-bromo- | CAS-2050-47-7 | PBDE 15 | EN300-1663277 | ETHER, BIS(4-BROMOPHENYL) | FT-0617911 | AKOS005258195 | B0834 | Bis(4-bromophenyl) ether, 99% | MFCD00000095 | NSC 9487 | NSC 1787 | di(4-Bromophenyl)ethe

Specifications & Purity

≥99%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

488182228

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182228

Canonical Smiles

C1=CC(=CC=C1OC2=CC=C(C=C2)Br)Br

IUPAC Name

1-bromo-4-(4-bromophenoxy)benzene

InChIKey

YAWIAFUBXXPJMQ-UHFFFAOYSA-N

INCHI

1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H

Isomeric SMILES

C1=CC(=CC=C1OC2=CC=C(C=C2)Br)Br

WGK Germany

3

RTECS

KN0175000

Molecular Weight

328

Beilstein

6(4)1048

Reaxy-Rn

2050738

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2050738&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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Air Sensitive
• Boil Point(°C): 338-340°C
• Melt Point(°C): 61-63°C
• Molecular Weight: 328.000 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 327.892 Da
• Monoisotopic Mass: 325.894 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 162.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2050-47-7, the molecular formula is C12H8Br2O, and the molecular weight is 328 g/mol. InChIKey YAWIAFUBXXPJMQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.