771-56-2

Basic information

• Product Name: 2,3,4,5,6-PENTAFLUOROTOLUENE
• Synonyms: 1,2,3,4,5-Pentafluoro-6-methylbenzene;1,2,3,4,5-pentafluoro-6-methyl-benzene;2,3,4,5,6-Pentafluoro-1-methylbenzene;benzene,pentafluoromethyl-;pentafluoromethyl-benzen;Pentafluoromethylbenzene;Toluene, 2,3,4,5,6-pentafluoro-;toluene,2,3,4,5,6-pentafluoro-
• CAS NO: 771-56-2
• Molecular Formula: C₇H₃F₅
• Molecular Weight: 182.09
• EINECS: 212-233-7
• Product Categories: Aryl;C7;Halogenated Hydrocarbons
• Mol File: 771-56-2.mol
• Article Data: 22

Chemical Properties

• Melting Point: −30 °C(lit.)
• Boiling Point: 117 °C(lit.)
• Flash Point: 94 °F
• Appearance: /
• Density: 1.439 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.403(lit.)
• Water Solubility: It is soluble in most common organic solvents and insoluble in water.
• BRN: 1911885
• CAS DataBase Reference: 2,3,4,5,6-PENTAFLUOROTOLUENE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3,4,5,6-PENTAFLUOROTOLUENE(771-56-2)
• EPA Substance Registry System: 2,3,4,5,6-PENTAFLUOROTOLUENE(771-56-2)

Safety Data

• Hazard Codes: Xn,F,Xi
• Statements: 10-20/21/22-36/37/38
• Safety Statements: 16-26-36
• RIDADR: UN 1993 3/PG 3
• WGK Germany: 3
• TSCA: T
• HazardClass: 3.2
• PackingGroup: III
• Hazardous Substances Data: 771-56-2(Hazardous Substances Data)

Usage

Uses

2,3,4,5,6-Pentafluorotoluene, can be used as an organic fluorinated building blocks for chemical synthesis. It is also used as an pharmaceutical intermediate.

General Description

2,3,4,5,6-Pentafluorotoluene is obtained by the Friedel Craft′s alkylation of pentafluorobenzene with methyl chloride.

InChI:InChI=1/C7H3F5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3

Upstream product

• 108-88-3 toluene 
• 1765-40-8 (bromomethyl)pentafluorobenzene 
• 653-35-0 2,3,4,5,6-pentafluorobenzyl chloride 
• 1736-60-3 1-allyl-2,3,4,5,6-pentafluorobenzene 
• 1373139-21-9 C₉H₅F₅O₃ 
• 617-86-7 triethylsilane 
• 434-64-0 perfluorotoluene 
• 1242267-61-3 cis-(IPr)AuMeF₂ 
• 1582-24-7 pentafluorophenylboronic acid 
• 17318-00-2 (pentafluoro phenyl) magnesiumbromide 
• 77-78-1 dimethyl sulfate 
• 30123-12-7 silver(I)pentafluorobenzene 
• 74-88-4 methyl iodide 
• 828-73-9 pentafluorophenyl hydrazine 

Downstream Products

• 55810-53-2 (Tetrafluor-p-tolyl)-malonsaeureethylester-nitril 
• 80588-36-9 4-methylnonafluorodiphenylamine 
• 3150-40-1 4-methoxy-2,3,5,6-tetrafluorotoluene 
• 31673-21-9 1-methylheptafluoro-1,4-cyclohexadiene 
• 22006-43-5 2,3,4,5,6-pentafluorobenzyl fluoride 
• 647-53-0 1-methylnonafluorocyclohexene 
• 111180-52-0 1-fluoromethylnonafluorocyclohexene 
• 111180-51-9 1-fluoromethylheptafluoro-1,4-cyclohexadiene 
• 111180-53-1 1-difluoromethylheptafluoro-1,4-cyclohexadiene 
• 80613-99-6 2-(2,3,5,6-tetrafluoro-4-methylphenoxy)ethanol 
• 653-31-6 2-(pentafluorophenyl)ethanol 
• 653-30-5 (pentafluorophenyl)acetonitrile 
• 440-60-8 (2,3,4,5,6-pentafluorophenyl)methanol 
• 653-20-3 2.3.4.5.6-Pentafluor-phenylacetamid 

Relevant articles and documents

Hydrodehalogenation of organohalides by Et3SiH catalysed by group 4 metal complexes and B(C6F5)3

Catalytic hydrodehalogenation (HDH) of aliphatic organohalides such as trifluorotoluenes by Et3SiH proceeds in the presence of readily available group 4 metal compounds: Cp′2MX2 (Cp′ = η5-C5H5 or η5-C5Me5; X = F, Cl, or Me; M = Ti, Zr, or Hf), CpTiCl3 and TiCl4 with a catalytic amount of B(C6F5)3. The use of metallocenes in combination with the borane activator leads to a better selectivity of the reaction, i.e., suppression of Friedel-Crafts alkylations of arenes.

Activation of C?F Bonds by Electrophilic Organosilicon Sites Supported on Sulfated Zirconia

The reaction of allyltriisopropylsilane with partially dehydroxylated sulfated zirconium oxide (SZO) forms surface organosilicon species. Solid-state NMR studies of the organosilicon functionalized SZO shows that electrophilic [TIPS][SZO] sites are present on the surface, in addition to less reactive TIPS-Ox and SiOx species. The electrophilic [TIPS][SZO] sites are strong Lewis acids from solid-state 31P NMR analysis of triethylphosphine oxide (O=PEt3) contacted materials. [TIPS][SZO] is active in hydrodefluorination reactions in the presence of Et3SiH.

Ti-catalyzed homolytic opening of ozonides: A sustainable C-C bond-forming reaction

The unprecedented homolytic opening of ozonides promoted and catalyzed by titanocene(III) is reported. This novel reaction proceeds at room temperature under neutral, mild conditions compatible with many functional groups and provides carbon radicals suitable to form C-C bonds via both homocoupling and cross-coupling processes. The procedure has been advantageously exploited for the straightforward synthesis of the natural product brittonin A.