3,4-Diaminofluorobenzene

The 4-Fluorobenzene-1,2-diamine, with the CAS registry number 367-31-7, is also known as 2-Amino-4-fluoroaniline. Its EINECS registry number is 206-691-7. This chemical's molecular formula is C₆H₇FN₂ and molecular weight is 126.13. What's more, its IUPAC name is the same with its product name.

Physical properties about 4-Fluorobenzene-1,2-diamine are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.482; (4)ACD/LogD (pH 7.4): 0.505; (5)ACD/BCF (pH 5.5): 1.35; (6)ACD/BCF (pH 7.4): 1.426; (7)ACD/KOC (pH 5.5): 42.473; (8)ACD/KOC (pH 7.4): 44.855; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.04 Å²; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 34.719 cm³; (15)Molar Volume: 98.204 cm³; (16)Surface Tension: 53.883 dyne/cm; (17)Density: 1.284 g/cm³; (18)Flash Point: 117.98 °C; (19)Enthalpy of Vaporization: 50.407 kJ/mol; (20)Boiling Point: 266.11 °C at 760 mmHg; (21)Vapour Pressure: 0.009 mmHg at 25 °C.

Preparation of 4-Fluorobenzene-1,2-diamine: this chemical can be prepared by 4-Fluoro-2-nitro-aniline. This reaction needs reagents Sn and HCl at temperature of 100 °C. The reaction time is 1 hour.

Uses of 4-Fluorobenzene-1,2-diamine: it is used to produce other chemicals. For example, it can react with Formic acid to get 5-Fluoro-1(3)H-benzoimidazole. The reaction needs heating for 3 hours. The yield is 89 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c(cc1F)N)N
(2) InChI: InChI=1S/C6H7FN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
(3) InChIKey: KWEWNOOZQVJONF-UHFFFAOYSA-N