3 5-DIFLUOROPHENYL ISOTHIOCYANATE 97

The 3,5-Difluorophenyl Isothiocyanate, with the CAS registry number 302912-39-6, is also known as 3,5-Difluorophenyl Isothiocyanate. It belongs to the product categories of Isothiocyanate; Organic Building Blocks; Sulfur Compounds; Thiocyanates/ Isothiocyanates. This chemical's molecular formula is C₇H₃F₂NS and molecular weight is 171.1672. Its systematic name is called 1,3-difluoro-5-isothiocyanatobenzene. 

Physical properties of 3,5-Difluorophenyl Isothiocyanate: (1)ACD/LogP: 3.62; (2)ACD/LogD (pH 5.5): 3.62; (3)ACD/LogD (pH 7.4): 3.62; (4)ACD/BCF (pH 5.5): 332.29; (5)ACD/BCF (pH 7.4): 332.29; (6)ACD/KOC (pH 5.5): 2220.79; (7)ACD/KOC (pH 7.4): 2220.79; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.536; (11)Molar Refractivity: 42.37 cm³; (12)Molar Volume: 135.8 cm³; (13)Surface Tension: 30.3 dyne/cm; (14)Density: 1.26 g/cm³; (15)Flash Point: 90.5 °C; (16)Enthalpy of Vaporization: 44.38 kJ/mol; (17)Boiling Point: 226.1 °C at 760 mmHg; (18)Vapour Pressure: 0.125 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
Thid chemical may destroy living tissue on contact. It may cause burns and may cause sensitisation by inhalation. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(/N=C=S)cc(F)c1
(2)InChI: InChI=1/C7H3F2NS/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
(3)InChIKey: DXELGKWEMRVTGD-UHFFFAOYAQ