3-Fluoro-4-nitrobenzonitrile supplier

Name
3-Fluoro-4-nitrobenzonitrile
EINECS
CAS No. 218632-01-0
Density 1.41 g/cm³
Solubility
Melting Point 72-73°C
Formula C₇H₃FN₂O₂
Boiling Point 316.4 °C at 760 mmHg
Molecular Weight 166.111
Flash Point 145.2 °C
Transport Information
Appearance
Safety 26-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Fluoro-4-nitrobenzonitrile;4-Cyano-2-fluoro-1-nitrobenzene;
PSA 69.61000
LogP 2.12878

3-Fluoro-4-nitrobenzonitrile Specification

The Benzonitrile,3-fluoro-4-nitro-, with CAS registry number 218632-01-0, has the systematic name of 3-fluoro-4-nitrobenzonitrile. Besides this, it is also called 4-Cyano-2-fluoro-1-nitrobenzene. And the chemical formula of this chemical is C₇H₃FN₂O₂.

Physical properties of Benzonitrile,3-fluoro-4-nitro-: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 1.98; (6)ACD/BCF (pH 7.4): 1.98; (7)ACD/KOC (pH 5.5): 56.66; (8)ACD/KOC (pH 7.4): 56.66; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 69.61 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 37.46 cm³; (15)Molar Volume: 117 cm³; (16)Polarizability: 14.85×10^-24cm³; (17)Surface Tension: 54 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 145.2 °C; (20)Enthalpy of Vaporization: 55.78 kJ/mol; (21)Boiling Point: 316.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000411 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(C#N)cc1F
(2)InChI: InChI=1/C7H3FN2O2/c8-6-3-5(4-9)1-2-7(6)10(11)12/h1-3H
(3)InChIKey: OZXCOGPRBUSXLE-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H3FN2O2/c8-6-3-5(4-9)1-2-7(6)10(11)12/h1-3H
(5)Std. InChIKey: OZXCOGPRBUSXLE-UHFFFAOYSA-N

Product Name

3-Fluoro-4-nitrobenzonitrile

3-Fluoro-4-nitrobenzonitrile Specification

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