Benzonitrile,3-fluoro-5-nitro- supplier

Name
3-FLUORO-5-NITROBENZONITRILE
EINECS
CAS No. 110882-60-5
Article Data10
CAS DataBase
Density 1.41 g/cm³
Solubility
Melting Point 50 °C
Formula C₇H₃FN₂O₂
Boiling Point 255.3 °C at 760 mmHg
Molecular Weight 166.111
Flash Point 108.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Fluoro-5-nitrobenzonitrile;
PSA 69.61000
LogP 2.12878

Benzonitrile,3-fluoro-5-nitro- Specification

The Benzonitrile,3-fluoro-5-nitro- is an organic compound with the molecular formula C₇H₃FN₂O₂. Its CAS registry number is 110882-60-5. The IUPAC name of this chemical is called 3-Fluoro-5-nitrobenzonitrile. What's more, the molecular weight of this chemical is 166.11.

Physical properties about this chemical are: (1)ACD/LogP: 0.88; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 2.75; (6)ACD/BCF (pH 7.4): 2.75; (7)ACD/KOC (pH 5.5): 71.88; (8)ACD/KOC (pH 7.4): 71.88; (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^-24 cm³; (17)Surface Tension: 54 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 108.2 °C; (20)Enthalpy of Vaporization: 49.27 kJ/mol; (21)Boiling Point: 255.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0164 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cc(cc(F)c1)[N+]([O-])=O
(2) InChI: InChI=1/C7H3FN2O2/c8-6-1-5(4-9)2-7(3-6)10(11)12/h1-3H
(3) InChIKey: GPVDTRGEVKDJOI-UHFFFAOYAL

Product Name

3-FLUORO-5-NITROBENZONITRILE

Benzonitrile,3-fluoro-5-nitro- Specification

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