2-Chloro-4-(trifluoromethyl)phenyl isocyanate (51488-22-3)

 The CAS register number of 2-Chloro-4-(trifluoromethyl)phenyl isocyanate is 51488-22-3. It also can be called as Benzene, 2-chloro-1-isocyanato-4-(trifluoromethyl)- and the systematic name about this chemical is 2-chloro-1-isocyanato-4-(trifluoromethyl)benzene. The molecular formula about this chemical is C₈H₃ClF₃NO and the molecular weight is 221.56. It belongs to the following product categories, such as Isocyanates; Nitrogen Compounds; Organic Building Blocks and so on.

Physical properties about 2-Chloro-4-(trifluoromethyl)phenyl isocyanate are: (1)ACD/LogP: 4.29; (2)ACD/LogD (pH 5.5): 4.29; (3)ACD/LogD (pH 7.4): 4.29; (4)ACD/BCF (pH 5.5): 1071.36; (5)ACD/BCF (pH 7.4): 1071.36; (6)ACD/KOC (pH 5.5): 5133.67; (7)ACD/KOC (pH 7.4): 5133.67; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.43Ų; (11)Index of Refraction: 1.487; (12)Molar Refractivity: 45.51 cm³; (13)Molar Volume: 158.2 cm³; (14)Polarizability: 18.04x10^-24cm³; (15)Surface Tension: 32.5 dyne/cm; (16)Enthalpy of Vaporization: 43.59 kJ/mol; (17)Boiling Point: 199.7 °C at 760 mmHg; (18)Vapour Pressure: 0.336 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin, it may cause sensitization by inhalation. When you are using it, wear suitable protective clothing and gloves, you also need do not breathe vapour. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1/N=C=O)C(F)(F)F
(2)InChI: InChI=1/C8H3ClF3NO/c9-6-3-5(8(10,11)12)1-2-7(6)13-4-14/h1-3H
(3)InChIKey: NEURYOYRKPFLKH-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H3ClF3NO/c9-6-3-5(8(10,11)12)1-2-7(6)13-4-14/h1-3H
(5)Std. InChIKey: NEURYOYRKPFLKH-UHFFFAOYSA-N