Product Name

  • Name

    2,6-Difluorobenzonitrile

  • EINECS 217-589-7
  • CAS No. 1897-52-5
  • Article Data37
  • CAS DataBase
  • Density 1.26 g/cm3
  • Solubility 1.87g/L at 19.85℃
  • Melting Point 25-28 °C(lit.)
  • Formula C7H3F2N
  • Boiling Point 174 °C at 760 mmHg
  • Molecular Weight 139.104
  • Flash Point 80 °C
  • Transport Information UN 1325
  • Appearance white to light yellow crystal powder
  • Safety 26-36-36/37/39
  • Risk Codes 20/21/22-36/37/38
  • Molecular Structure Molecular Structure of 1897-52-5 (2,6-Difluorobenzonitrile)
  • Hazard Symbols HarmfulXn,ToxicT,IrritantXi
  • Synonyms Benzonitrile, 2,6-difluoro-;2,6-Difluorobenznitrile;
  • PSA 23.79000
  • LogP 1.83648

Synthetic route

2,6-difluorobenzamide
18063-03-1

2,6-difluorobenzamide

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
With Triethoxysilane; o-Ph2P(C6H4)Si(Me)2Fe(H)(PMe3)3 In tetrahydrofuran at 60℃; for 24h; Schlenk technique;99%
With diphenylsilane; FeH(PMe3)2(SiPh(NCH2PPh2)2C6H4) In tetrahydrofuran at 70℃; for 24h; Schlenk technique; Inert atmosphere;90%
With Triethoxysilane; [cis-Fe(H)(SPh)(PMe3)4] In tetrahydrofuran at 60℃; for 24h; Inert atmosphere;87%
C26H18AuF2N2P

C26H18AuF2N2P

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
In 1,4-dioxane at 100℃; for 2h; Kinetics; Solvent; Temperature; Inert atmosphere; Schlenk technique; Sealed tube;99%
2,6-dichloro-benzonitrile
1194-65-6

2,6-dichloro-benzonitrile

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
Stage #1: 2,6-dichloro-benzonitrile With 1-Ethylpyridinium chloride In dimethyl sulfoxide; toluene at 110℃; for 2h;
Stage #2: With potassium fluoride In dimethyl sulfoxide; toluene at 90 - 150℃; for 15h; Reagent/catalyst; Temperature; Solvent;
98.34%
With potassium fluoride; tetrabutylammomium bromide at 170℃; for 12h;91%
With potassium fluoride; immobilized pyridinium salt In sulfolane at 180℃; for 4h;82%
trimethylsilyl cyanide
7677-24-9

trimethylsilyl cyanide

C34H43AuF3NP(1+)*F6Sb(1-)

C34H43AuF3NP(1+)*F6Sb(1-)

A

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

B

F6Sb(1-)*C32H49AuN2PSi(1+)

F6Sb(1-)*C32H49AuN2PSi(1+)

Conditions
ConditionsYield
In dichloromethane-d2 at 25℃; for 3h; Glovebox;A 96%
B n/a
2,6-dichloro-benzonitrile
1194-65-6

2,6-dichloro-benzonitrile

tetrakis(diethylamino)phosphonium bromide
81175-49-7

tetrakis(diethylamino)phosphonium bromide

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
With potassium fluoride; dimethyl sulfoxide In sulfolane; chlorobenzene93%
2,6-dichloro-benzonitrile
1194-65-6

2,6-dichloro-benzonitrile

tetrakis(diethylamino)phosphonium bromide
81175-49-7

tetrakis(diethylamino)phosphonium bromide

4-Fluoronitrobenzene
350-46-9

4-Fluoronitrobenzene

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
With potassium fluoride In sulfolane; chlorobenzene91%
Triethoxysilane
998-30-1

Triethoxysilane

2,6-difluorobenzamide
18063-03-1

2,6-difluorobenzamide

A

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

B

C12H30O7Si2

C12H30O7Si2

Conditions
ConditionsYield
With C22H48FeOP4 In tetrahydrofuran at 60℃; for 24h; Inert atmosphere; Schlenk technique;A 75%
B n/a
2-chloro-6-nitrobenzonitrile
6575-07-1

2-chloro-6-nitrobenzonitrile

A

2-chloro-6-fluorobenzonitrile
668-45-1

2-chloro-6-fluorobenzonitrile

B

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
With biphenyl; tetramethylammonium fluoride In N,N-dimethyl acetamide at 60℃; for 0.666667h;A 72%
B 5%
With tetrabutyl ammonium fluoride In tetrahydrofuran for 1.5h; Ambient temperature;A 75 % Chromat.
B 25 % Chromat.
2,6-difluoro-benzaldehyde oxime
19064-16-5

2,6-difluoro-benzaldehyde oxime

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
With N-methyl-N,N,N-triethylammonium methylsulfate In acetonitrile at 22℃; Electrolysis;47%
1,3-Difluorobenzene
372-18-9

1,3-Difluorobenzene

N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
Stage #1: 1,3-Difluorobenzene With lithium diisopropyl amide In tetrahydrofuran at 20℃; for 2h;
Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at 0℃; for 2h;
Stage #3: With ammonia; iodine In tetrahydrofuran; water at 0 - 20℃; for 2h;
42%
C7H2F3N(1-)
96606-37-0

C7H2F3N(1-)

A

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

B

3,3',5,5'-tetrafluoro-[1,1'-biphenyl]-4,4'-dicarbonitrile
116720-37-7

3,3',5,5'-tetrafluoro-[1,1'-biphenyl]-4,4'-dicarbonitrile

Conditions
ConditionsYield
In N,N-dimethyl-formamide Rate constant; kfr;
2,6-difluorobenzyl chloride
697-73-4

2,6-difluorobenzyl chloride

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
With air; ammonia; water; V-8Ti-xO at 250℃; Product distribution; various temperatures, other catalyst;
2-chloro-6-fluorobenzonitrile
668-45-1

2-chloro-6-fluorobenzonitrile

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
With tetramethylammonium hydrogen difluoride In N,N-dimethyl acetamide at 120℃; for 3h;77 % Chromat.
2-chloro-6-nitrobenzonitrile
6575-07-1

2-chloro-6-nitrobenzonitrile

A

2-chloro-6-fluorobenzonitrile
668-45-1

2-chloro-6-fluorobenzonitrile

B

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

C

3-chloro-2-cyanophenol
89999-90-6

3-chloro-2-cyanophenol

D

2-Fluoro-6-hydroxybenzonitrile
140675-43-0

2-Fluoro-6-hydroxybenzonitrile

Conditions
ConditionsYield
With tetramethylammonium fluoride In dimethyl sulfoxide at 100℃; for 1h; Fluorination;
2-chloro-6-fluorobenzonitrile
668-45-1

2-chloro-6-fluorobenzonitrile

A

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

B

3-chloro-2-cyanophenol
89999-90-6

3-chloro-2-cyanophenol

C

2-Fluoro-6-hydroxybenzonitrile
140675-43-0

2-Fluoro-6-hydroxybenzonitrile

Conditions
ConditionsYield
With tetramethylammonium fluoride In dimethyl sulfoxide at 100℃; for 0.5h; Fluorination;
2-chloro-6-nitrobenzonitrile
6575-07-1

2-chloro-6-nitrobenzonitrile

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: tetramethylammonium fluoride / dimethylsulfoxide / 1 h / 100 °C
2: tetramethylammonium fluoride / dimethylsulfoxide / 0.5 h / 100 °C
View Scheme
1,3-Difluorobenzene
372-18-9

1,3-Difluorobenzene

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: (i) nBuLi, (ii) /BRN= 1900390/
2: SOCl2
3: NH3
4: SOCl2 / dimethylformamide
View Scheme
2,6-difluorobenzoylchloride
18063-02-0

2,6-difluorobenzoylchloride

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: NH3
2: SOCl2 / dimethylformamide
View Scheme
2,6-difluorobenzoic acid
385-00-2

2,6-difluorobenzoic acid

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: SOCl2
2: NH3
3: SOCl2 / dimethylformamide
View Scheme
2,6-dichloro-benzonitrile
1194-65-6

2,6-dichloro-benzonitrile

A

2-chloro-6-fluorobenzonitrile
668-45-1

2-chloro-6-fluorobenzonitrile

B

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
With potassium fluoride; 1-butyl-3-methylimidazolium tetrafluoroborate In sulfolane at 180℃; for 18h; Product distribution / selectivity;A 45 %Chromat.
B 52 %Chromat.
1-butyl-3-methylimidazolium hexafluorophosphate In sulfolane at 180℃; for 18h; Product distribution / selectivity;A 79 %Chromat.
B 19 %Chromat.
dimethyl-di(ethoxypolyoxypropyl)ammonium chloride

dimethyl-di(ethoxypolyoxypropyl)ammonium chloride

2,6-dichloro-benzonitrile
1194-65-6

2,6-dichloro-benzonitrile

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
With potassium fluoride In 5,5-dimethyl-1,3-cyclohexadiene
trimethyl(ethoxypolyoxypropyl)ammonium chloride

trimethyl(ethoxypolyoxypropyl)ammonium chloride

2,6-dichloro-benzonitrile
1194-65-6

2,6-dichloro-benzonitrile

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
With potassium fluoride In 5,5-dimethyl-1,3-cyclohexadiene
3-chloro-2,6-difluorobenzonitrile
86225-73-2

3-chloro-2,6-difluorobenzonitrile

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
With sodium hydroxide; palladium-carbon catalyst In water
2,4,6-trifluorobenzonitrile
96606-37-0

2,4,6-trifluorobenzonitrile

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
With Dimethylphenylsilane; o-phenylenebis(diphenylphosphine); potassium tert-butylate; copper(l) chloride In tetrahydrofuran for 12h; Inert atmosphere; Reflux; regioselective reaction;100 %Spectr.
2,6-difluorobenzylamine
69385-30-4

2,6-difluorobenzylamine

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
With copper(l) iodide; oxygen In dichloromethane at 20℃; under 760.051 Torr; for 6h; Sealed tube;74 %Spectr.
potassiumhexacyanoferrate(II) trihydrate

potassiumhexacyanoferrate(II) trihydrate

C12H3F7O3S

C12H3F7O3S

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In N,N-dimethyl-formamide at 40℃; for 3h; Sealed tube; Green chemistry;
C26H18AuF2N2P

C26H18AuF2N2P

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
In 1,4-dioxane at 65℃; Kinetics; Inert atmosphere; Schlenk technique; Sealed tube;
2,6-dichlorotoluene
118-69-4

2,6-dichlorotoluene

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: phosphorus pentachloride; chlorine / 150 °C
2: acetic acid; zinc(II) chloride; hydroxylamine hydrochloride; sodium acetate / 8 h / Reflux
3: potassium fluoride; tetrabutylammomium bromide / 12 h / 170 °C
View Scheme
2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

2,6-difluorobenzamide
18063-03-1

2,6-difluorobenzamide

Conditions
ConditionsYield
With water; nitrile hydratase from Rhodococcus rhodochrous J1 at 25℃; for 22h; KH2PO4-K2HPO4 puffer pH=8.0;100%
With dihydrogen peroxide; sodium hydroxide at 50℃; for 5h; Temperature;91.2%
With sulfuric acid at 70℃; for 4h;90%
2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

sodium methylate
124-41-4

sodium methylate

2-fluoro-6-methoxybenzonitrile
94088-46-7

2-fluoro-6-methoxybenzonitrile

Conditions
ConditionsYield
In methanol at 0 - 20℃;99%
In methanol at 0℃;86%
In methanol at 0 - 20℃;
2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

2-amino-6-fluorobenzonitrile
77326-36-4

2-amino-6-fluorobenzonitrile

Conditions
ConditionsYield
With ammonia In dimethyl sulfoxide at 80℃; for 80h; closed bottle;99%
With ammonia In ethanol at 140℃; under 10343.2 Torr; for 6h;97%
With ammonia In dimethyl sulfoxide at 80 - 120℃;97.5%
2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

2,2-bis(4-hydroxyphenyl)propane bistrimethylsilyl ether
4387-16-0

2,2-bis(4-hydroxyphenyl)propane bistrimethylsilyl ether

polymer; monomer(s): 1,1-bis(4-trimethylsilyloxyphenyl)-1-methylethane; 2,6-difluorobenzonitrile

polymer; monomer(s): 1,1-bis(4-trimethylsilyloxyphenyl)-1-methylethane; 2,6-difluorobenzonitrile

Conditions
ConditionsYield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 140 - 145℃; for 48h;99%
2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

(+/-)-α-(o-(trifluoromethyl)phenyl)ethyl alcohol
79756-81-3

(+/-)-α-(o-(trifluoromethyl)phenyl)ethyl alcohol

2-fluoro-6-[1-(2-trifluoromethylphenyl)-ethoxy]-benzonitrile
872181-46-9

2-fluoro-6-[1-(2-trifluoromethylphenyl)-ethoxy]-benzonitrile

Conditions
ConditionsYield
Stage #1: (+/-)-α-(o-(trifluoromethyl)phenyl)ethyl alcohol With sodium hydride In DMF (N,N-dimethyl-formamide) at 0 - 20℃; for 0.75h;
Stage #2: 2,6 difluorobenzonitrile In DMF (N,N-dimethyl-formamide) at 0 - 20℃; for 2.33333h;
99%
With sodium hydride In N,N-dimethyl-formamide at 0℃; for 2h;
2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

2-fluoro-6-[4-(2-fluorobenzyl)cyclohexylmethoxy]benzonitrile

2-fluoro-6-[4-(2-fluorobenzyl)cyclohexylmethoxy]benzonitrile

Conditions
ConditionsYield
Stage #1: [4-(2-fluorobenzyl)cyclohexyl]methanol With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 2.03333h;
Stage #2: 2,6 difluorobenzonitrile In N,N-dimethyl-formamide at 0℃; for 2.01667h;
98%
2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

ethylamine
75-04-7

ethylamine

2-ethylamino-6-fluorobenzonitrile
119584-72-4

2-ethylamino-6-fluorobenzonitrile

Conditions
ConditionsYield
In dimethyl sulfoxide for 4h; Ambient temperature;97%
2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

thiophenol
108-98-5

thiophenol

2,6-bis(phenylthio)benzonitrile
1271825-04-7

2,6-bis(phenylthio)benzonitrile

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 0 - 25℃;97%
4-Octyne
1942-45-6

4-Octyne

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

(Z)-3-(2,6-difluorophenyl)-2-propylhex-2-enenitrile
1453501-01-3

(Z)-3-(2,6-difluorophenyl)-2-propylhex-2-enenitrile

Conditions
ConditionsYield
With bis(1,5-cyclooctadiene)nickel (0); triphenylborane; bis[2-(diphenylphosphino)phenyl] ether at 100℃; for 8h; Inert atmosphere; chemoselective reaction;97%
nitromethane
75-52-5

nitromethane

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

(Z)-1-(2,6-difluorophenyl)-2-nitroethen-1-amine

(Z)-1-(2,6-difluorophenyl)-2-nitroethen-1-amine

Conditions
ConditionsYield
With N,N,N,N,N,N-hexamethylphosphoric triamide; copper(l) iodide; caesium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene at 85℃; for 0.5h; Aza-Henry Reaction; Molecular sieve;97%
phenoxazine
135-67-1

phenoxazine

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

2,6-di(10H-phenoxazin-10-yl)benzonitrile

2,6-di(10H-phenoxazin-10-yl)benzonitrile

Conditions
ConditionsYield
With sodium ethanolate In N,N-dimethyl-formamide at 70 - 150℃; for 48h;97%
With sodium hydride In hexane; N,N-dimethyl-formamide; mineral oil for 10h; Inert atmosphere;82%
2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

2-fluorobenzonitrile
394-47-8

2-fluorobenzonitrile

Conditions
ConditionsYield
With 9,10-phenanthrenequinone In N,N-dimethyl-formamide for 8.25h; Electrochemical reaction;95.7%
1,1,1-tris(4-trimethylsilyloxyphenyl)ethane

1,1,1-tris(4-trimethylsilyloxyphenyl)ethane

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

polymer, product of 1,1,1-tris(4-trimethylsilyloxyphenyl)ethane polycondensation with 2,6-difluorobenzonitrile at 140 - 145 deg C for 48 h, monomers feed ratio 1.0:1.1; monomer(s): 1,1,1-tris(4-trimethylsilyloxyphenyl)ethane; 2,6-difluorobenzonitrile

polymer, product of 1,1,1-tris(4-trimethylsilyloxyphenyl)ethane polycondensation with 2,6-difluorobenzonitrile at 140 - 145 deg C for 48 h, monomers feed ratio 1.0:1.1; monomer(s): 1,1,1-tris(4-trimethylsilyloxyphenyl)ethane; 2,6-difluorobenzonitrile

Conditions
ConditionsYield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 140 - 145℃; for 48h;95%
2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

benzyl alcohol
100-51-6

benzyl alcohol

2-(benzyloxy)-6-fluorobenzonitrile
94088-45-6

2-(benzyloxy)-6-fluorobenzonitrile

Conditions
ConditionsYield
With sodium hydride In tetrahydrofuran at 0 - 20℃;95%
2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

methylmagnesium chloride
676-58-4

methylmagnesium chloride

2,6-difluoroacetophenone
13670-99-0

2,6-difluoroacetophenone

Conditions
ConditionsYield
Stage #1: 2,6 difluorobenzonitrile; methylmagnesium chloride In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene at 20℃; for 20h; Inert atmosphere;
Stage #2: With sulfuric acid In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene; water at 50℃;
95%
Stage #1: 2,6 difluorobenzonitrile; methylmagnesium chloride In tetrahydrofuran; toluene at 36 - 40℃; for 5h; Inert atmosphere;
Stage #2: With sulfuric acid; water In tetrahydrofuran; toluene at 27 - 30℃; for 2.5h; Inert atmosphere;
93 %Chromat.
1-methyl-1H-indole-2,3-dione
2058-74-4

1-methyl-1H-indole-2,3-dione

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

dimedone
126-81-8

dimedone

1-fluoro-1',10,10-trimethyl-10,11-dihydro-5H-spiro[indazolo[3,2-b]quinazoline-7,3'-indoline]-2',8(9H)-dione

1-fluoro-1',10,10-trimethyl-10,11-dihydro-5H-spiro[indazolo[3,2-b]quinazoline-7,3'-indoline]-2',8(9H)-dione

Conditions
ConditionsYield
Stage #1: 2,6 difluorobenzonitrile With hydrazine In ethanol at 80℃; for 0.5h; Green chemistry;
Stage #2: 1-methyl-1H-indole-2,3-dione; dimedone With toluene-4-sulfonic acid In ethanol at 80℃; for 4h; Green chemistry;
95%
10H-phenothiazine
92-84-2

10H-phenothiazine

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

C31H19N3S2

C31H19N3S2

Conditions
ConditionsYield
With sodium ethanolate In N,N-dimethyl-formamide at 70 - 150℃; for 48h;95%
2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

3-amino-4-fluoro-1H-indazole

3-amino-4-fluoro-1H-indazole

Conditions
ConditionsYield
With hydrazine hydrate In ethanol at 90℃; for 4h; Inert atmosphere;94%
With hydrazine hydrate In ethanol at 90℃; for 4h; Inert atmosphere;94%
2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

N-cyclopentyl-3-(hydroxymethyl)-2-oxopiperidine-3-carboxamide

N-cyclopentyl-3-(hydroxymethyl)-2-oxopiperidine-3-carboxamide

3-((2-cyano-3-fluorophenoxy)methyl)-N-cyclopentyl-2-oxopiperidine-3-carboxamide

3-((2-cyano-3-fluorophenoxy)methyl)-N-cyclopentyl-2-oxopiperidine-3-carboxamide

Conditions
ConditionsYield
Stage #1: N-cyclopentyl-3-(hydroxymethyl)-2-oxopiperidine-3-carboxamide With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; for 1h; Inert atmosphere;
Stage #2: 2,6 difluorobenzonitrile In tetrahydrofuran; mineral oil at 0 - 20℃; Inert atmosphere;
94%
2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

indole-2,3-dione
91-56-5

indole-2,3-dione

dimedone
126-81-8

dimedone

1-fluoro-10,10-dimethyl-10,11-dihydro-5H-spiro[indazolo[3,2-b]quinazoline-7,3'-indoline]-2',8(9H)-dione

1-fluoro-10,10-dimethyl-10,11-dihydro-5H-spiro[indazolo[3,2-b]quinazoline-7,3'-indoline]-2',8(9H)-dione

Conditions
ConditionsYield
Stage #1: 2,6 difluorobenzonitrile With hydrazine In ethanol at 80℃; for 0.5h; Green chemistry;
Stage #2: indole-2,3-dione; dimedone With toluene-4-sulfonic acid In ethanol at 80℃; for 4h; Green chemistry;
94%
2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

2-fluoro-6-(3-(trifluoromethyl)phenoxy)benzonitrile

2-fluoro-6-(3-(trifluoromethyl)phenoxy)benzonitrile

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 16h;93%
2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

9,9-bis(4-hydroxyphenyl)fluorene
3236-71-3

9,9-bis(4-hydroxyphenyl)fluorene

C135H79F2N5O8

C135H79F2N5O8

Conditions
ConditionsYield
Stage #1: 2,6 difluorobenzonitrile; 9,9-bis(4-hydroxyphenyl)fluorene With potassium carbonate In N,N-dimethyl acetamide; toluene at 140 - 165℃; for 5h; Inert atmosphere; Dean-Stark;
Stage #2: 2,6 difluorobenzonitrile In N,N-dimethyl acetamide; toluene at 160℃; for 1h; Inert atmosphere; Dean-Stark;
92%
5-methoxyisatine
39755-95-8

5-methoxyisatine

2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

dimedone
126-81-8

dimedone

1-fluoro-5'-methoxy-10,10-dimethyl-10,11-dihydro-5H-spiro[indazolo[3,2-b]quinazoline-7,3'-indoline]-2',8(9H)-dione

1-fluoro-5'-methoxy-10,10-dimethyl-10,11-dihydro-5H-spiro[indazolo[3,2-b]quinazoline-7,3'-indoline]-2',8(9H)-dione

Conditions
ConditionsYield
Stage #1: 2,6 difluorobenzonitrile With hydrazine In ethanol at 80℃; for 0.5h; Green chemistry;
Stage #2: 5-methoxyisatine; dimedone With toluene-4-sulfonic acid In ethanol at 80℃; for 4h; Green chemistry;
92%
2,6 difluorobenzonitrile
1897-52-5

2,6 difluorobenzonitrile

guanidine hydrogen carbonate
124-46-9, 20734-13-8, 100224-74-6, 593-85-1

guanidine hydrogen carbonate

2,4-diamino-5-fluoroquinazoline
119584-70-2

2,4-diamino-5-fluoroquinazoline

Conditions
ConditionsYield
In N,N-dimethyl acetamide at 140 - 142℃; for 5h;91%
In N,N-dimethyl acetamide at 140℃; for 8h;77%

2,6-Difluorobenzonitrile Chemical Properties


IUPAC Name: 2,6-Difluorobenzonitrile
Molecular Formula: C7H3F2N
Molecular Weight: 139.10 g/mol
SMILES: N#Cc1c(F)cccc1F
InChI: InChI=1/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H 
EINECS: 217-589-7
Product Categories: Aromatic Nitriles; Fluorobenzene; Nitrile; C6 to C7; Cyanides / Nitriles; Nitrogen Compounds
Index of Refraction: 1.486 
Molar Refractivity: 31.54 cm
Molar Volume: 109.7 cm 
Surface Tension: 35.3 dyne/cm 
Density:  1.26 g/cm3 
Flash Point:  80 °C 
Enthalpy of Vaporization: 41.04 kJ/mol 
Boiling Point: 174 °C at 760 mmHg 
Melting Point: 25-28 °C(lit.)
Vapour Pressure of 2,6-Difluorobenzonitrile (CAS NO.1897-52-5): 1.23 mmHg at 25 °C

2,6-Difluorobenzonitrile Safety Profile

Hazard Codes: HarmfulXn,ToxicT,IrritantXi
Risk Statements: 20/21/22-36/37/38
 R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 3439
WGK Germany: 3
Hazard Note: Toxic
HazardClass: 6.1
PackingGroup of 2,6-Difluorobenzonitrile (CAS NO.1897-52-5): III

2,6-Difluorobenzonitrile Specification

  2,6-Difluorobenzonitrile (CAS NO.1897-52-5), its Synonyms are Benzonitrile, 2,6-difluoro- ; 2,6-Difluoro-benzonitril ; 2,6-Difluorobenzonitrile 99% . It is white to light yellow crystal powder.

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