1,2-Bis(bromomethyl)-4-fluorobenzene

Base Information

• Chemical Name: 1,2-Bis(bromomethyl)-4-fluorobenzene
• CAS No.: 55831-04-4
• Molecular Formula: C8H7Br2F
• Molecular Weight: 281.95
• DSSTox Substance ID: DTXSID90472499
• Nikkaji Number: J864.181A
• Wikidata: Q82301466
• Mol file: 55831-04-4.mol

Synonyms:1,2-BIS(BROMOMETHYL)-4-FLUOROBENZENE;55831-04-4;Benzene, 1,2-bis(bromomethyl)-4-fluoro-;SCHEMBL3307736;DTXSID90472499;BTAKGWBWUAVBGB-UHFFFAOYSA-N;MFCD16036169;AKOS015995464;1,2-bis-(bromomethyl)-4-fluoro-benzene;AS-36211;EN300-212119

Chemical Property of 1,2-Bis(bromomethyl)-4-fluorobenzene

Chemical Property:

• Boiling Point: 271.5±30.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.847±0.06 g/cm3(Predicted)
• LogP: 3.61550
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 281.88780
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

≥99% ^*data from raw suppliers

1,2-BIS(BROMOMETHYL)-4-FLUOROBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)CBr)CBr

Technology Process of 1,2-Bis(bromomethyl)-4-fluorobenzene

There total 5 articles about 1,2-Bis(bromomethyl)-4-fluorobenzene 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: 60.0%

4-fluoro-2-(hydroxymethyl)benzyl alcohol (62558-08-1) → 1,2-bis(bromomethyl)-4-fluorobenzene (55831-04-4)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 0 ℃; for 0.75h;

Reference yield:

4-amino-o-xylene (95-64-7) → 1,2-bis(bromomethyl)-4-fluorobenzene (55831-04-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaNO₂, 60percent HBF₄ / 1.) H₂O, 0 deg C, 20 min, 2.) 80 deg C, 45 min

2: 37 percent / NBS, benzoyl peroxide / CCl₄ / 0.75 h / Heating

With N-Bromosuccinimide; tetrafluoroboric acid; Perbenzoic acid; sodium nitrite; In tetrachloromethane;

DOI:10.1021/jo00243a032

Reference yield:

4-amino-o-xylene (95-64-7) → 1,2-bis(bromomethyl)-4-fluorobenzene (55831-04-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaNO₂; HCl

1.2: NaBF₃

1.3: 56 percent / Thermolysis

2.1: 77 percent / Br₂ / CCl₄

With hydrogenchloride; bromine; sodium nitrite; In tetrachloromethane;

DOI:10.1039/b108663d

upstream raw materials:

4-fluoro-2-(hydroxymethyl)benzyl alcohol

4-amino-o-xylene

4-fluorophthalic anhydride

Downstream raw materials:

3,4-dimethyl-fluorobenzene

4-fluorobenzocyclobutene

9-fluorobenzofluoranthene

2-(2-cyclopent-1-enyl-3-methyl-benzoylamino)-5-fluoro-indan-2-carboxylic acid ethyl ester