Benzonitrile,2,4,6-trichloro- (6575-05-9)

The 2,4,6-Trichlorobenzonitrile, with the CAS registry number 6575-05-9, is also known as 2,4,6-Trichlorobenzonitrile, 98% and Benzonitrile, 2,4,6-trichloro-. It belongs to the product categories of Benzene Series; Nitrile. This chemical's molecular formula is C₇H₂Cl₃N and formula weight is 206.46. What's more, both its IUPAC name and systematic name are the same which is called 2,4,6-Trichlorobenzonitrile.

Physical properties about this chemical are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.36; (5)ACD/BCF (pH 5.5): 208.94; (6)ACD/BCF (pH 7.4): 208.94; (7)ACD/KOC (pH 5.5): 1593.25; (8)ACD/KOC (pH 7.4): 1593.25; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 45.8 cm³; (15)Molar Volume: 133.6 cm³; (16)Surface Tension: 55.2 dyne/cm; (17)Density: 1.54 g/cm³; (18)Flash Point: 136.4 °C; (19)Enthalpy of Vaporization: 54.33 kJ/mol; (20)Melting Point: 80-82°C; (21)Boiling Point: 303.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000951 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and it irritates to eyes, respiratory system and skin. 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.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1Cl)C#N)Cl)Cl
(2)InChI: InChI=1S/C7H2Cl3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H
(3)InChIKey: PGODHCIOIPODFE-UHFFFAOYSA-N