1-BROMO-4-ISOTHIOCYANATOMETHYLBENZENE

The Benzene,1-(bromomethyl)-4-isothiocyanato- is an organic compound with the formula C₈H₆BrNS. The systematic name of this chemical is 1-(Bromomethyl)-4-isothiocyanatobenzene. With the CAS registry number 155863-32-4, it is also named as 4-Isothiocyanatobenzyl bromide. Besides, its molecular weight is 228.11.

Physical properties about Benzene,1-(bromomethyl)-4-isothiocyanato- are: (1)ACD/LogP: 4.01; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 581; (5)ACD/BCF (pH 7.4): 581; (6)ACD/KOC (pH 5.5): 3315; (7)ACD/KOC (pH 7.4): 3315; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 44.45 Å²; (11)Index of Refraction: 1.607; (12)Molar Refractivity: 54.799 cm³; (13)Molar Volume: 158.659 cm³; (14)Polarizability: 21.724×10^-24 cm³; (15)Surface Tension: 40.612 dyne/cm; (16)Density: 1.438 g/cm³; (17)Flash Point: 141.594 °C; (18)Enthalpy of Vaporization: 52.936 kJ/mol; (19)Boiling Point: 310.514 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed. It may cause sensitization by inhalation. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H6BrNS/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,5H2
(2)InChIKey: NSQGUALFBVTBHL-UHFFFAOYAK
(3)Std. InChI: InChI=1S/C8H6BrNS/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,5H2
(4)Std. InChIKey: NSQGUALFBVTBHL-UHFFFAOYSA-N