2-Bromo-5-fluorotoluene

Base Information

• Chemical Name: 2-Bromo-5-fluorotoluene
• CAS No.: 452-63-1
• Molecular Formula: C7H6BrF
• Molecular Weight: 189.027
• Hs Code.: 29049090
• European Community (EC) Number: 207-203-5
• NSC Number: 88287
• UNII: Z2EZM84G5X
• DSSTox Substance ID: DTXSID90196421
• Nikkaji Number: J196.150K
• Wikidata: Q72456543
• Mol file: 452-63-1.mol

Synonyms:2-Bromo-5-fluorotoluene;452-63-1;1-Bromo-4-fluoro-2-methylbenzene;3-Fluoro-6-bromotoluene;Benzene, 1-bromo-4-fluoro-2-methyl-;Z2EZM84G5X;2-methyl-4-fluorobromobenzene;EINECS 207-203-5;NSC-88287;2-bromo-5-fluoro toluene;1-bromo-4-fluoro-2-methyl-benzene;NSC88287;2-bromo-5fluorotoluene;2-Bromo-5-fluortoluene;2-bromo-5-fluoro-toluene;UNII-Z2EZM84G5X;SCHEMBL306113;2-Bromo-5-fluorotoluene, 98%;DTXSID90196421;BCP24566;MFCD00017921;NSC 88287;1-Bromo-4-fluoro-2-methylbenzene #;AKOS000121866;AC-7083;CS-W007813;4-FLUORO-2-METHYL-1-BROMOBENZENE;AS-11622;A7129;AM20060276;B1303;FT-0620981;EN300-28931;C91700;W-106154

Chemical Property of 2-Bromo-5-fluorotoluene

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 2.8mmHg at 25°C
• Refractive Index: n20/D 1.526(lit.)
• Boiling Point: 181.4 °C at 760 mmHg
• Flash Point: 45 °C
• PSA: 0.00000
• Density: 1.498 g/cm³
• LogP: 2.89660
• Storage Temp.: Flammables area
• Solubility.: Difficult to mix.
• Water Solubility.: INSOLUBLE
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 187.96369
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-5-fluorotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)F)Br
• Uses: 2-Bromo-5-fluorotoluene is used to produce other chemicals. It can produce 2-Bromo-5-fluoro-benzoic acid. The reaction occurs with reagent KMnO4, solvent H2O and other condition of heating.

Technology Process of 2-Bromo-5-fluorotoluene

There total 6 articles about 2-Bromo-5-fluorotoluene 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: 76.5%

hexafluorophosphate de bromo-4-methyl-3-benzene diazonium (97815-02-6) → 2-Bromo-5-fluorotoluene (452-63-1)

Guidance literature:

In paraffin; at 120 - 130 ℃;

Reference yield:

toluene (108-88-3,15644-74-3,16713-13-6) → 3,3'-dimethyl-biphenyl (612-75-9) + 2-Bromo-5-fluorotoluene (452-63-1) + 2-methylphenyl bromide (95-46-5) + 2,4-dibromotoluene (31543-75-6)

Guidance literature:

With 2BrF₄H^(1-)*Ba⁽²⁺⁾; In 1,1,2-Trichloro-1,2,2-trifluoroethane; at 45 ℃; for 5h;

DOI:10.1016/j.jfluchem.2016.10.022

Reference yield:

amino-5-bromo-2-toluene (6933-10-4) → 2-Bromo-5-fluorotoluene (452-63-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) 10 percent HCl, sodium nitrite; 2.) 70 percent HPF₆ / 1.) water, 0 deg C; 2.) water, 30 min, 5 deg C

2: 76.5 percent / paraffin / 120 - 130 °C

With hydrogenchloride; hexafluorophosphoric acid; sodium nitrite; In paraffin;

upstream raw materials:

m-Fluorotoluene

hexafluorophosphate de bromo-4-methyl-3-benzene diazonium

tetrachloromethane

bromine

Downstream raw materials:

1-(4-Fluoro-2-methyl-phenyl)-3-{2-[1-methoxy-meth-(Z)-ylidene]-cyclohexyl}-propan-1-one

(E)-ethyl 3-(4-fluoro-2-methylphenyl)acrylate

N-tert-butyl-6-chloro-4-(4-fluoro-2-methylphenyl)nicotinamide

6-fluoro-4-methyl-1-indanone

Refernces

• 1、 Gorsane, M.,Martin, R. H.. "HELICENES : SYNTHESE PHOTOCHIMIQUE DE FLUORO-1-PENTAHELICENES". . p. 205 - 214. Retrieved 2007/10/02.