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4-Fluorobenzonitrile

CAT: 0572-TRC-F588375-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-F588375-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1194-02-1
Synonyms
p-Fluorobenzonitrile; 1-Cyano-4-fluorobenzene; 4-Cyanofluorobenzene; 4-Fluorobenzonitrile; 4-Fluorocyanobenzene; NSC 88330; Para-fluorobenzonitrile; p-Cyanofluorobenzene; p-Fluorobenzonitrile; p-Fluorophenyl Cyanide; Benzonitrile, 4-fluoro-; Benzonitrile, p-fluoro- (6CI,7CI,8CI)
Hazard Statement
Flammable solid; UN number: UN1325; Packing Group: II
Smiles
Fc1ccc(cc1)C#N
Molecular Formula
C7H4FN
Molecular Weight
121.11
InChI
InChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H
Additionnal Information
IUPAC name: 4-fluorobenzonitrile
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Fluorobenzonitrile

4-Fluorobenzonitrile is a nitrile and a member of benzenes.

CAS Number1194-02-1
PubChem CID14517
IUPAC Name4-fluorobenzonitrile
Molecular FormulaC7H4FN
Molecular Weight121.11
XLogP2.1
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity127
SMILES
C1=CC(=CC=C1C#N)F
InChI
InChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey
AEKVBBNGWBBYLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Fluorobenzonitrile
CAS: 1194-02-1
CID: 14517
Formula: C7H4FN
MW: 121.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight121.11
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass121.032777294
Monoisotopic Mass121.032777294
Topological Polar Surface Area23.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity127
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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276745-014-Fluorobenzonitrile
HY-34428S14-Fluorobenzonitrile-d4
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