2,4-DIFLUOROPHENYL ISOTHIOCYANATE

The Benzene,2,4-difluoro-1-isothiocyanato-, with the CAS registry number 141106-52-7, is also known as 2,4-Difluorophenyl isothiocyanate. It belongs to the product categories of Isothiocyanate; Phenyl isocyanate&Phenyl isothiocyanate; Aromatics Compounds; Sulfur & Selenium Compounds; Organic Building Blocks; Sulfur Compounds; Thiocyanates/Isothiocyanates. This chemical's molecular formula is C₇H₃F₂NS and formula weight is 171.16. What's more, its IUPAC name is 2,4-difluoro-1-isothiocyanatobenzene. 

Physical properties of Benzene,2,4-difluoro-1-isothiocyanato- are: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/BCF (pH 5.5): 194.81; (5)ACD/KOC (pH 5.5): 1515.34; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 44.45 Å²; (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: 89.8 °C; (16)Enthalpy of Vaporization: 44.26 kJ/mol; (17)Boiling Point: 224.8 °C at 760 mmHg; (18)Vapour Pressure: 0.134 mmHg at 25°C.

Uses of Benzene,2,4-difluoro-1-isothiocyanato-: it can be used to produce 1,3-bis-(2,4-difluoro-phenyl)-thiourea at the temperature of 20°C. It will need solvent ethanol. The yield is about 88%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable protective clothing. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1F)F)N=C=S
(2)InChI: InChI=1S/C7H3F2NS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
(3)InChIKey: ABGGPKIFVAIRGU-UHFFFAOYSA-N