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2,6-Difluorobenzonitrile

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Name

2,6-Difluorobenzonitrile

EINECS 217-589-7
CAS No. 1897-52-5 Density 1.26 g/cm3
PSA 23.79000 LogP 1.83648
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;

Article Data 37

2,6-Difluorobenzonitrile Synthetic route

18063-03-1

2,6-difluorobenzamide

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

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%
1194-65-6

2,6-dichloro-benzonitrile

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%
7677-24-9

trimethylsilyl cyanide

C34H43AuF3NP(1+)*F6Sb(1-)

A

1897-52-5

2,6 difluorobenzonitrile

B

F6Sb(1-)*C32H49AuN2PSi(1+)

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

2,6-dichloro-benzonitrile

81175-49-7

tetrakis(diethylamino)phosphonium bromide

1897-52-5

2,6 difluorobenzonitrile

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

2,6-dichloro-benzonitrile

81175-49-7

tetrakis(diethylamino)phosphonium bromide

350-46-9

4-Fluoronitrobenzene

1897-52-5

2,6 difluorobenzonitrile

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

Triethoxysilane

18063-03-1

2,6-difluorobenzamide

A

1897-52-5

2,6 difluorobenzonitrile

B

C12H30O7Si2

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

2-chloro-6-nitrobenzonitrile

A

668-45-1

2-chloro-6-fluorobenzonitrile

B

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.
19064-16-5

2,6-difluoro-benzaldehyde oxime

1897-52-5

2,6 difluorobenzonitrile

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

1,3-Difluorobenzene

68-12-2, 33513-42-7

N,N-dimethyl-formamide

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%

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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