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CAS No.: | 143234-87-1 |
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Name: | p-Fluorobenzonitrile |
Article Data: | 299 |
Molecular Structure: | |
Formula: | C7H4FN |
Molecular Weight: | 121.114 |
Synonyms: | p-Fluorobenzonitrileradical ion(1+) |
EINECS: | 214-784-9 |
Density: | 1.15 g/cm3 |
Boiling Point: | 189.6 °C at 760 mmHg |
Flash Point: | 65.6 °C |
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The Benzonitrile,4-fluoro-, radical ion(1+) (9CI) is an organic compound with the molecular formula C7H4FN. Its CAS registry number is 143234-87-1. The IUPAC name of this chemical is called 4-Fluorobenzonitrile. It's also known as 1-Cyano-4-fluorobenzene and 4-Fluorbenzolcarbonitril. What's more, the molecular weight of this chemical is 121.1118.
Physical properties about Benzonitrile,4-fluoro-, radical ion(1+) (9CI) are: (1)ACD/LogP: 1.70; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 11.47; (6)ACD/BCF (pH 7.4): 11.47; (7)ACD/KOC (pH 5.5): 199.52; (8)ACD/KOC (pH 7.4): 199.52; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 31.43 cm3; (15)Molar Volume: 104.9 cm3; (16)Polarizability: 12.46×10-24 cm3; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 65.6 °C; (20)Enthalpy of Vaporization: 42.59 kJ/mol; (21)Boiling Point: 189.6 °C at 760 mmHg; (22)Vapour Pressure: 0.564 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccc(F)cc1
(2) InChI: InChI=1/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H
(3) InChIKey: AEKVBBNGWBBYLL-UHFFFAOYAJ