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| CAS No.: | 1897-52-5 |
|---|---|
| Name: | 2,6-Difluorobenzonitrile |
| Molecular Structure: | |
|
|
|
| Formula: | C7H3F2N |
| Molecular Weight: | 139.104 |
| Synonyms: | Benzonitrile, 2,6-difluoro-;2,6-Difluorobenznitrile; |
| EINECS: | 217-589-7 |
| Density: | 1.26 g/cm3 |
| Melting Point: | 25-28 °C(lit.) |
| Boiling Point: | 174 °C at 760 mmHg |
| Flash Point: | 80 °C |
| Solubility: | 1.87g/L at 19.85℃ |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xn, T, Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36-36/37/39 |
| Transport Information: | UN 1325 |
| PSA: | 23.79000 |
| LogP: | 1.83648 |
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- 18063-03-1
2,6-difluorobenzamide
- 1897-52-5
2,6 difluorobenzonitrile
| Conditions | Yield |
|---|---|
| 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% |
- 1897-52-5
2,6 difluorobenzonitrile
| Conditions | Yield |
|---|---|
| In 1,4-dioxane at 100℃; for 2h; Kinetics; Solvent; Temperature; Inert atmosphere; Schlenk technique; Sealed tube; | 99% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With potassium fluoride; dimethyl sulfoxide In sulfolane; chlorobenzene | 93% |
- 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 | Yield |
|---|---|
| With potassium fluoride In sulfolane; chlorobenzene | 91% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
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Chemistry
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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 cm3
Molar Volume: 109.7 cm3
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
Safety Profile
Hazard Codes: 
Xn,
T,
Xi
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
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.