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Name |
3-Fluorophthalonitrile |
EINECS | N/A |
CAS No. | 65610-13-1 | Density | 1.271 g/cm3 |
PSA | 47.58000 | LogP | 1.56906 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H3FN2 | Boiling Point | 294.938 °C at 760 mmHg |
Molecular Weight | 146.124 | Flash Point | 132.174 °C |
Transport Information | N/A | Appearance | light yellow crystall powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Fluoro-1,2-benzenedicarbonitrile;3-Fluorophthalonitrile;1,2-Benzenedicarbonitrile,3-fluoro-(9CI); |
The systematic name of 1,2-Benzenedicarbonitrile,3-fluoro- is 3-fluorobenzene-1,2-dicarbonitrile. With the CAS registry number 65610-13-1, it is also named as 3-Fluorophthalonitrile. The product's categories are Halide; Nitrile; Aromatic Nitriles. In addition, its molecular formula is C8H3FN2 and its molecular weight is 146.12. This chemical is light yellow crystall powder.
The other characteristics of 1,2-Benzenedicarbonitrile,3-fluoro- can be summarized as: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 47.58 Å2; (7)Index of Refraction: 1.539; (8)Molar Refractivity: 36 cm3; (9)Molar Volume: 114.937 cm3; (10)Polarizability: 14.272×10-24cm3; (11)Surface Tension: 51.582 dyne/cm; (12)Density: 1.271 g/cm3; (13)Flash Point: 132.174 °C; (14)Enthalpy of Vaporization: 53.461 kJ/mol; (15)Boiling Point: 294.938 °C at 760 mmHg; (16)Vapour Pressure: 0.002 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: N#Cc1c(C#N)cccc1F
(2)InChI: InChI=1/C8H3FN2/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3H
(3)InChIKey: SAPTYURANIHAPE-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H3FN2/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3H
(5)Std. InChIKey: SAPTYURANIHAPE-UHFFFAOYSA-N