5-Fluoro-2-nitrobenzonitrile supplier

Name
5-FLUORO-2-NITROBENZONITRILE
EINECS 642-493-0
CAS No. 50594-78-0
Article Data6
CAS DataBase
Density 1.419 g/cm³
Solubility
Melting Point 84-88 °C
Formula C₇H₃FN₂O₂
Boiling Point 302.9 °C at 760 mmHg
Molecular Weight 166.111
Flash Point 137 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Nitro-5-fluorobenzenecarbonitrile;3-Fluoro-6-nitrobenzonitrile;5-Fluoro-2-nitrobenzenecarbonitrile;
PSA 69.61000
LogP 2.12878

5-Fluoro-2-nitrobenzonitrile Specification

The Benzonitrile,5-fluoro-2-nitro-, with the CAS registry number 50594-78-0, has the systematic name and IUPAC name of 5-fluoro-2-nitrobenzonitrile. It belongs to the following product categories: Blocks; Carboxes; FluoroCompounds; Nitro Compounds; Aromatic Nitriles; Nitrile. And the molecular formula of the chemical is C₇H₃FN₂O₂.

The characteristics of Benzonitrile,5-fluoro-2-nitro- are as followings: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 69.61 Å²; (7)Index of Refraction: 1.553; (8)Molar Refractivity: 37.46 cm³; (9)Molar Volume: 117 cm³; (10)Polarizability: 14.85×10^-24cm³; (11)Surface Tension: 54 dyne/cm; (12)Density: 1.41 g/cm³; (13)Flash Point: 137 °C; (14)Enthalpy of Vaporization: 54.32 kJ/mol; (15)Boiling Point: 302.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00096 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=[N+]([O-])c1c(C#N)cc(F)cc1
(2)InChI: InChI=1/C7H3FN2O2/c8-6-1-2-7(10(11)12)5(3-6)4-9/h1-3H
(3)InChIKey: VCEQYKYTIDJWTD-UHFFFAOYAZ

Product Name

5-FLUORO-2-NITROBENZONITRILE

5-Fluoro-2-nitrobenzonitrile Specification

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