Benzonitrile, 5-broMo-2-fluoro-3-Methyl-

Base Information

• Chemical Name: Benzonitrile, 5-broMo-2-fluoro-3-Methyl-
• CAS No.: 1110502-49-2
• Molecular Formula: C8H5BrFN
• Molecular Weight: 214.037
• Hs Code.: 2926907090
• Mol file: 1110502-49-2.mol

Synonyms:Benzonitrile, 5-broMo-2-fluoro-3-Methyl-;5-Bromo-2-fluoro-3-methylbenzonitrile

Chemical Property of Benzonitrile, 5-broMo-2-fluoro-3-Methyl-

Chemical Property:

• Boiling Point: 250.2±35.0 °C(Predicted)
• PSA: 23.79000
• Density: 1.59±0.1 g/cm3(Predicted)
• LogP: 2.76828

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2-fluoro-3-methylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzonitrile, 5-broMo-2-fluoro-3-Methyl-

There total 4 articles about Benzonitrile, 5-broMo-2-fluoro-3-Methyl- 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: 98.0%

5-bromo-2-fluoro-3-methylbenzaldehyde (903875-64-9) → 5-bromo-2-fluoro-3-methylbenzonitrile (1110502-49-2)

Guidance literature:

With ammonium hydroxide; iodine; In tetrahydrofuran; at 20 ℃; for 16h;

Reference yield:

(E)-5-bromo-2-fluoro-3-methylbenzaldehyde oxime → 5-bromo-2-fluoro-3-methylbenzonitrile (1110502-49-2)

Guidance literature:

In acetic anhydride;

Reference yield:

5-bromo-2-fluorotoluene (51437-00-4) → 5-bromo-2-fluoro-3-methylbenzonitrile (1110502-49-2)

Guidance literature:

Multi-step reaction with 3 steps

1: n-butyllithium; hydrogenchloride / tetrahydrofuran; N,N-dimethyl-formamide; hexane

2: hydroxylamine hydrochloride; AMINOHIPPURATE SODIUM / ethanol

3: acetic anhydride

With AMINOHIPPURATE SODIUM; hydrogenchloride; n-butyllithium; hydroxylamine hydrochloride; In tetrahydrofuran; ethanol; hexane; acetic anhydride; N,N-dimethyl-formamide;

upstream raw materials:

5-bromo-2-fluoro-3-methylbenzaldehyde

5-bromo-2-fluorotoluene

Downstream raw materials:

C₈H₈BrN₃

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