| Identification | |
| Name: | Benzonitrile,2,4-dichloro-5-fluoro- |
| Synonyms: | 2,4-Dichloro-5-fluorobenzonitrile;benzonitrile, 2,4-dichloro-5-fluoro-;NCR BG DG EF; |
| CAS: | 128593-93-1 |
| Molecular Formula: | C7H2Cl2FN |
| Molecular Weight: | 190.001883 |
| InChI: | InChI=1S/C7H2Cl2FN/c8-5-2-6(9)7(10)1-4(5)3-11/h1-2H |
| Molecular Structure: |  |
| Properties | |
| Melting Point: | 46-48 ºC |
| Density: | 1.49 g/cm3 |
| Refractive index: | 1.558 |
| Water Solubility: | at 25 deg C (mg/L): 69.09 |
| Solubility: | at 25 deg C (mg/L): 69.09 |
| Specification: |
The 2,4-Dichloro-5-fluorobenzonitrile, with the CAS registry number 128593-93-1, is also called benzonitrile, 2,4-dichloro-5-fluoro-. It belongs to the product categories of Aromatic Nitriles and Nitrile. And the molecular formula of the chemical is C7H2Cl2FN. The characteristics of this chemical are as followings: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 59.81; (6)ACD/BCF (pH 7.4): 59.81; (7)ACD/KOC (pH 5.5): 650.77; (8)ACD/KOC (pH 7.4): 650.77; (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: 1.558; (14)Molar Refractivity: 41.08 cm3; (15)Molar Volume: 127.3 cm3; (16)Polarizability: 16.28×10-24cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.49 g/cm3; (19)Flash Point: 110.6 °C; (20)Enthalpy of Vaporization: 49.68 kJ/mol; (21)Boiling Point: 259.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0131 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
| Packinggroup: | III |
| Safety Data | |
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