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Your Location：Home>Product Center >> Benzyl、 chloride、 product >> 2-Fluorobenzonitrile
  • 2-Fluorobenzonitrile
Name:2-Fluorobenzonitrile
CAS No:394-47-8

PRODUCT DESCRIPTION

【Name】
2-Fluorobenzonitrile
【Iupac name】
2-fluorobenzonitrile
【CAS Registry number】
394-47-8
【Synonyms】
Fluorobenzonitrile

FluorobenzonitrileFLUOROBENZONITRILE
2-CYANOFLUOROBENZENE
O-FLUOROBENZONITRILE
Benzonitrile, o-fluoro-
o-Cyanofluorobenzene
o-Fluorobenzonitrile 2-Fluorobenzonitrile
2-FLUOROBENZONITRILE 98% (GC)
2-Fluorobenzonitrile,99%
2-Fluorobenzonitrile 99%
2-Fluorbenzonitril
O-Fluorobenzonitile
【EINECS(EC#)】
206-897-7
【Molecular Formula】
C7H4FN (Products with the same molecular formula)
【Molecular Weight】
121.11
【Inchi】
InChI=1/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4H
【InChIKey】
GDHXJNRAJRCGMX-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C(C(=C1)C#N)F
【MOL File】
394-47-8.mol

Chemical and Physical Properties

【Appearance】
clear to white semi solid
【Density】
1.116
【Melting Point】
35 - 37
【Boiling Point】
90℃ (21 mmHg)
【Refractive Index】
1.5063-1.5083
【Flash Point】
73℃
【Water】
insoluble
【Solubilities】
Insoluble
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29269095
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:121.111763 [g/mol]
Molecular Formula:C7H4FN
XLogP3:1.5
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:121.032777
MonoIsotopic Mass:121.032777
Topological Polar Surface Area:23.8
Heavy Atom Count:9
Formal Charge:0
Complexity:135
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R20/21/22;R36/37/38
【Safety Statements 】
S26;S36/37/39
【HazardClass】
IRRITANT, IRRITANT-HARMFUL
【Hazard Note】

Toxic

【Safety】

Safety Information of 2-fluorobenzonitrile (CAS NO.394-47-8):
Hazard Codes: XnHarmful,TToxic,XiIrritant
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

【PackingGroup 】
III
【Transport】
UN 3276
【Specification】

?2-fluorobenzonitrile , its CAS NO. is 394-47-8, the synonyms are o-Cyanofluorobenzene ; o-Fluorobenzonitrile ; Benzonitrile, 2-fluoro- .

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