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Name |
Benzonitrile,2-amino-4,5-difluoro- |
EINECS | N/A |
CAS No. | 219823-49-1 | Density | 1.36 g/cm3 |
PSA | 49.81000 | LogP | 1.99988 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H4F2N2 | Boiling Point | 288.7 °C at 760 mmHg |
Molecular Weight | 154.119 | Flash Point | 128.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Amino-4,5-difluorobenzonitrile; |
Article Data | 4 |
The CAS registry number of Benzonitrile,2-amino-4,5-difluoro- is 219823-49-1. It belongs to the product category of Halide. This chemical's molecular formula is C7H4F2N2 and molecular weight is 154.1168664. What's more, its systematic name is called 2-Amino-4,5-difluorobenzonitrile.
Physical properties about Benzonitrile,2-amino-4,5-difluoro- are: (1)ACD/LogP: 1.73; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.08; (6)ACD/BCF (pH 7.4): 12.08; (7)ACD/KOC (pH 5.5): 207.15; (8)ACD/KOC (pH 7.4): 207.15; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 27.03 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 35.16 cm3; (15)Molar Volume: 113.2 cm3; (16)Polarizability: 13.93×10-24 cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 128.4 °C; (20)Enthalpy of Vaporization: 52.79 kJ/mol; (21)Boiling Point: 288.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0023 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cc(F)c(F)cc1N
(2) InChI: InChI=1/C7H4F2N2/c8-5-1-4(3-10)7(11)2-6(5)9/h1-2H,11H2
(3) InChIKey: WQDUYGGOVGUBMO-UHFFFAOYAQ