3-Fluorobenzal bromide

Base Information

• Chemical Name: 3-Fluorobenzal bromide
• CAS No.: 455-34-5
• Molecular Formula: C7H5 Br2 F
• Molecular Weight: 267.923
• Hs Code.: 2912210000
• DSSTox Substance ID: DTXSID60196534
• Nikkaji Number: J308.976B
• Wikidata: Q83069571
• Mol file: 455-34-5.mol

Synonyms:3-Fluorobenzal bromide;455-34-5;1-(Dibromomethyl)-3-fluorobenzene;Fluorobenzene, meta-(dibromomethyl)-;m-fluorobenzal bromide;SCHEMBL723341;meta-(Dibromomethyl)fluorobenzene;DTXSID60196534;alpha,alpha-Dibromo-3-fluorotoluene;MFCD00010354;1-(Dibromomethyl)-3-fluorobenzene #;AKOS015889188;F0314;FT-0622084;D90657;A826839

Chemical Property of 3-Fluorobenzal bromide

Chemical Property:

• Vapor Pressure: 0.101mmHg at 25°C
• Refractive Index: n20/D 1.587(lit.)
• Boiling Point: 230.2°Cat760mmHg
• Flash Point: 93°C
• PSA: 0.00000
• Density: 1.954g/cm³
• LogP: 3.61410
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 267.87215
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Fluorobenzal Bromide >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)C(Br)Br

Technology Process of 3-Fluorobenzal bromide

There total 3 articles about 3-Fluorobenzal bromide 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:

m-Fluorotoluene (352-70-5) → 1-(dibromomethyl)-3-fluorobenzene (455-34-5)

Guidance literature:

With bromine;

Reference yield:

1-(Bromomethyl)-3-fluorobenzene (456-41-7) → 1-(dibromomethyl)-3-fluorobenzene (455-34-5)

Guidance literature:

With N-Bromosuccinimide; In benzene; at 80 ℃; Rate constant; Irradiation;

Reference yield:

1-dichloromethyl-3-fluoro-benzene (402-64-2) → 1-(dibromomethyl)-3-fluorobenzene (455-34-5)

Guidance literature:

With boron tribromide;

upstream raw materials:

m-Fluorotoluene

1-(Bromomethyl)-3-fluorobenzene

1-dichloromethyl-3-fluoro-benzene

Downstream raw materials:

m-FC₆H₄CH(SCF₃)2

3-fluorobenzyl methyl sulfone

1-Benzenesulfonylmethyl-3-fluoro-benzene

3-Fluorobenzaldehyde

Refernces