3-Fluoroisonicotinonitrile supplier

Name
4-Pyridinecarbonitrile,3-fluoro-(9CI)
EINECS
CAS No. 113770-88-0
Article Data4
CAS DataBase
Density 1.249 g/cm³
Solubility Slightly soluble in water.
Melting Point
Formula C₆H₃FN₂
Boiling Point 178.802 °C at 760 mmHg
Molecular Weight 122.102
Flash Point 61.937 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Pyridinecarbonitrile,3-fluoro-(9CI);4-Cyano-3-fluoropyridine;3-Fluoropyridine-4-carbonitrile;3-Fluoro-4-pyridinecarbonitrile;4-Pyridinecarbonitrile,3-fluoro-
PSA 36.68000
LogP 1.09238

3-Fluoroisonicotinonitrile Specification

The 4-Pyridinecarbonitrile,3-fluoro-, with its CAS registry number 113770-88-0, has the systematic name of 3-fluoropyridine-4-carbonitrile. And it has the molecular formula of C₆H₃FN₂. Besides, it belongs to the product categories which include Pyridine.

The characteristics of 4-Pyridinecarbonitrile,3-fluoro- are as follows: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.25; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.45; (8)ACD/KOC (pH 7.4): 32.45; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å²; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 29.23 cm³; (15)Molar Volume: 97.7 cm³; (16)Polarizability: 11.58×10^-24cm³; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 61.9 °C; (20)Enthalpy of Vaporization: 41.51 kJ/mol; (21)Boiling Point: 178.8 °C at 760 mmHg; (22)Vapour Pressure: 0.972 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:N#Cc1ccncc1F
(2)InChI:InChI=1/C6H3FN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H
(3)InChIKey:RFQHDTRSEWCXJP-UHFFFAOYAC

Product Name

4-Pyridinecarbonitrile,3-fluoro-(9CI)

3-Fluoroisonicotinonitrile Specification

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