1-(Dibromomethyl)-3-phenoxybenzene

Base Information

• Chemical Name: 1-(Dibromomethyl)-3-phenoxybenzene
• CAS No.: 53874-67-2
• Molecular Formula: C13H10 Br2 O
• Molecular Weight: 342.03
• Hs Code.: 2909309090
• European Community (EC) Number: 258-832-7
• UNII: KRG35B7CQJ
• DSSTox Substance ID: DTXSID3068887
• Nikkaji Number: J31.981C
• Wikidata: Q81995651
• Mol file: 53874-67-2.mol

Synonyms:1-(Dibromomethyl)-3-phenoxybenzene;53874-67-2;EINECS 258-832-7;Benzene, 1-(dibromomethyl)-3-phenoxy-;m-phenoxybenzylidene dibromide;m-Phenoxybenzalbromid;m-phenoxybenzal bromide;KRG35B7CQJ;SCHEMBL9774444;DTXSID3068887;C13-H10-Br2-O

Chemical Property of 1-(Dibromomethyl)-3-phenoxybenzene

Chemical Property:

• Vapor Pressure: 4.62E-05mmHg at 25°C
• Boiling Point: 360.4°Cat760mmHg
• Flash Point: 147.3°C
• PSA: 9.23000
• Density: 1.681g/cm³
• LogP: 5.26730
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 341.90779
• Heavy Atom Count: 16
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C(Br)Br

Technology Process of 1-(Dibromomethyl)-3-phenoxybenzene

There total 6 articles about 1-(Dibromomethyl)-3-phenoxybenzene 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: 8.0%

3-phenoxytoluene (3586-14-9) + sodium acetate (127-09-3) → 3-phenoxybenzal bromide (53874-67-2) + 3-phenoxybenzoic acid (3739-38-6) + 3-phenoxybenzyl acetate (50789-44-1)

Guidance literature:

With dipotassium peroxodisulfate; lithium bromide; In acetic acid; at 113 ℃; for 6h;

DOI:10.1021/jo00231a017

Reference yield:

3-phenoxytoluene (3586-14-9) → 3-phenoxybenzyl bromide (51632-16-7) + 3-phenoxybenzal bromide (53874-67-2)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; at 78 ℃; for 6h; Yield given. Yields of byproduct given;

DOI:10.1007/BF00959586

Reference yield:

1,2-dibromo-1,1,2-trichloroethane (13749-38-7) + 3-phenoxytoluene (3586-14-9) + pyrographite (7440-44-0) → 3-phenoxybenzyl bromide (51632-16-7) + 3-phenoxybenzal bromide (53874-67-2)

Guidance literature:

upstream raw materials:

3-phenoxytoluene

sodium acetate

meta-bromotoluene

phenol