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| CAS No.: | 394-47-8 |
|---|---|
| Name: | 2-Fluorobenzonitrile |
| Article Data: | 82 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H4FN |
| Molecular Weight: | 121.114 |
| Synonyms: | o-Cyanofluorobenzene;O-Fluorobenzonitile;benzonitrile, 2-fluoro-;o-Fluorobenzonitrile;Benzonitrile, o-fluoro- (8CI);Benzonitrile, o-fluoro-; |
| EINECS: | 206-897-7 |
| Density: | 1.15 g/cm3 |
| Melting Point: | 35 - 37oC |
| Boiling Point: | 193.6 °C at 760 mmHg |
| Flash Point: | 73.9 °C |
| Solubility: | insoluble in water |
| Appearance: | colorless to light yellow liquid |
| Hazard Symbols: |
 Xn,  T,  Xi
|
| Risk Codes: | 22-37/38-41-36/37/38-20/21/22 |
| Safety: | 26-39-36/37/39-36 |
| Transport Information: | UN 3276 |
| PSA: | 23.79000 |
| LogP: | 1.69738 |
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Chemistry
Product Name: 2-fluorobenzonitrile (CAS NO.394-47-8)
Molecular Formula: C7H4FN
Molecular Weight: 121.11g/mol
Mol File: 394-47-8.mol
EINECS: 206-897-7
Boiling point: 193.6 °C at 760 mmHg
Flash Point: 73.9 °C
Density: 1.15 g/cm3
Refractive index: n20/D 1.505(lit.)
Water Solubility: Insoluble
Index of Refraction: 1.511
Molar Refractivity: 31.43 cm3
Molar Volume: 104.9 cm3
Surface Tension: 37.9 dyne/cm
Enthalpy of Vaporization: 42.98 kJ/mol
Vapour Pressure: 0.46 mmHg at 25°C
XLogP3-AA: 1.5
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of 2-fluorobenzonitrile (CAS NO.394-47-8):
IUPAC Name: 2-fluorobenzonitrile
Canonical SMILES: C1=CC=C(C(=C1)C#N)F
InChI: InChI=1S/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4H
InChIKey: GDHXJNRAJRCGMX-UHFFFAOYSA-N
Product Categories: Fluorobenzene Series; FINE Chemical & INTERMEDIATES; Aromatic Nitriles; Fluorobenzene; Nitrile; Fluorine Compounds; Nitriles; C6 to C7; Cyanides/Nitriles; Nitrogen Compounds
Production
The product categories of 2-fluorobenzonitrile contain fluorobenzene Series,FINE Chemical & INTERMEDIATES,Aromatic NITRILES,fluorobenzene,Nitrile,Fluorine Compounds,NITRILES,C6 to C7,Cyanides/NITRILES and NITROGEN Compounds.
Safety Profile
Safety Information of 2-fluorobenzonitrile (CAS NO.394-47-8):
Hazard Codes: Xn
,T
,Xi
Risk Statements: 22-37/38-41-36/37/38-20/21/22
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-39-36/37/39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S36:Wear suitable protective clothing.
RIDADR: 3276
WGK Germany: 3
Hazard Note: Toxic
TSCA: T
HazardClass: IRRITANT, IRRITANT-HARMFUL
PackingGroup: III
HS Code: 2926909
Specification
2-fluorobenzonitrile , its CAS NO. is 394-47-8, the synonyms are o-Cyanofluorobenzene ; o-Fluorobenzonitrile ; Benzonitrile, 2-fluoro- .