4-Bromophenyl phenyl ether (phenyl-D5)

Base Information

• Chemical Name: 4-Bromophenyl phenyl ether (phenyl-D5)
• CAS No.: 93951-83-8
• Molecular Formula: C₁₂H₉BrO
• Molecular Weight: 258.035
• European Community (EC) Number: 663-927-5
• DSSTox Substance ID: DTXSID30584368
• Wikidata: Q82476023
• Mol file: 93951-83-8.mol

Synonyms:93951-83-8;4-BROMOPHENYL PHENYL ETHER (PHENYL-D5);1-(4-bromophenoxy)-2,3,4,5,6-pentadeuteriobenzene;1-Bromo-4-phenoxybenzene-d5;4-Bromophenyl phenyl-d5 ether;DTXSID30584368;1-(4-bromophenoxy)(?H?)benzene;HY-76595S;4-Bromophenyl phenyl ether(phenyl-d5);1-Bromo-4-[(~2~H_5_)phenyloxy]benzene;CS-0564507;4-Bromophenyl phenyl-d5 ether, 98 atom % D;D98594

Chemical Property of 4-Bromophenyl phenyl ether (phenyl-D5)

Chemical Property:

• Boiling Point: 305 °C(lit.)
• Flash Point: 113 °C
• PSA: 9.23000
• Density: 1.451 g/mL at 25 °C
• LogP: 4.24140
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 253.01506
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

98.5% ^*data from raw suppliers

4-BromophenylPhenyl-d5Ether ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N,Xn
• Statements: 50/53-43-41-22
• Safety Statements: 60-61-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)Br
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=CC=C(C=C2)Br)[2H])[2H]
• Uses: 4-Bromophenyl Phenyl-d5 Ether (CAS# 93951-83-8) is a useful isotopically labeled research compound.

Technology Process of 4-Bromophenyl phenyl ether (phenyl-D5)

There total 1 articles about 4-Bromophenyl phenyl ether (phenyl-D5) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1,4-dibromotetradeuterobenzene (4165-56-4) + phenol-d5 (4165-62-2) → C12(2)H9BrO (93951-83-8)

Guidance literature:

With copper(l) iodide; N,N-dimethylglycine hydrochoride; caesium carbonate;

DOI:10.1002/jlcr.3944

upstream raw materials:

1,4-dibromotetradeuterobenzene

phenol-d5

Refernces