5-FLUORO-2-METHYLPHENYL ISOTHIOCYANATE

The 2-Chloro-6-fluorophenylhydrazine, with the CAS registry number 175205-39-7, has the systematic name and IUPAC name of 4-fluoro-2-isothiocyanato-1-methylbenzene. It belongs to the product category of Isothiocyanate. And the molecular formula of the chemical is C₈H₆FNS.

The characteristics of 2-Chloro-6-fluorophenylhydrazine are as followings: (1)ACD/LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.87; (4)ACD/LogD (pH 7.4): 3.87; (5)ACD/BCF (pH 5.5): 515.38; (6)ACD/BCF (pH 7.4): 515.38; (7)ACD/KOC (pH 5.5): 3040.48; (8)ACD/KOC (pH 7.4): 3040.48; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.45 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 46.92 cm³; (15)Molar Volume: 148.1 cm³; (16)Polarizability: 18.6×10^-24cm³; (17)Surface Tension: 31 dyne/cm; (18)Density: 1.12 g/cm³; (19)Flash Point: 105.4 °C; (20)Enthalpy of Vaporization: 46.83 kJ/mol; (21)Boiling Point: 250.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0338 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc(/N=C=S)c(cc1)C
(2)InChI: InChI=1/C8H6FNS/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3
(3)InChIKey: QVCYTKXGZLOVFA-UHFFFAOYAK