4-AMINO-2,5-DIFLUOROBENZONITRILE

The 4-Amino-2,5-difluorobenzonitrile, with CAS registry number 112279-61-5, belongs to the following product category: Nitrile. Its systematic name and its IUPAC name are the same. which is 4-amino-2,5-difluorobenzonitrile. This chemical should be stored in cool, dry place. And you should ensure good ventilation at the workplace.

Physical properties of 4-Amino-2,5-difluorobenzonitrile: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 7.95; (6)ACD/BCF (pH 7.4): 7.95; (7)ACD/KOC (pH 5.5): 153.48; (8)ACD/KOC (pH 7.4): 153.48; (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^-24cm³; (17)Surface Tension: 46.5 dyne/cm; (18)Enthalpy of Vaporization: 50.31 kJ/mol; (19)Vapour Pressure: 0.00928 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,4,5-trifluorobenzonitrile. This reaction will need reagent NH₃(liquid).  The reaction time is 4.5 hour(s) with reaction temperature of 60 ℃. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
The 4-Amino-2,5-difluorobenzonitrile irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C#N)c(F)cc1N
(2)InChI: InChI=1/C7H4F2N2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-2H,11H2
(3)InChIKey: LAPGMTOHOQPDGI-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H4F2N2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-2H,11H2
(5)Std. InChIKey: LAPGMTOHOQPDGI-UHFFFAOYSA-N