2-CHLORO-4-HYDROXYBENZONITRILE

The Benzonitrile,2-chloro-4-hydroxy- is an organic compound with the formula C₇H₄ClNO. The systematic name of this chemical is 2-Chloro-4-hydroxybenzonitrile. With the CAS registry number 3336-16-1, it is also named as Chloro-4-hydroxybenzonitrile. The product's categories are Aromatic nitriles; C6 to C7; Cyanides/Nitriles; Nitrogen compounds. Besides, it is white to light yellow crystal powder, which should be stored in a cool, well-ventilated place.

Physical properties about Benzonitrile,2-chloro-4-hydroxy- are: (1)ACD/LogP: 2.48; (2)ACD/LogD (pH 5.5): 2.47; (3)ACD/LogD (pH 7.4): 1.85; (4)ACD/BCF (pH 5.5): 43.57; (5)ACD/BCF (pH 7.4): 10.48; (6)ACD/KOC (pH 5.5): 512.72; (7)ACD/KOC (pH 7.4): 123.3; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 33.02 Å²; (12)Index of Refraction: 1.611; (13)Molar Refractivity: 37.67 cm³; (14)Molar Volume: 108.5 cm³; (15)Polarizability: 14.93×10^-24 cm³; (16)Surface Tension: 62.7 dyne/cm; (17)Density: 1.41 g/cm³; (18)Flash Point: 149.3 °C; (19)Enthalpy of Vaporization: 58.76 kJ/mol; (20)Boiling Point: 323.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000141 mmHg at 25 °C.

Uses of Benzonitrile,2-chloro-4-hydroxy-: it can be used to produce 4'-Pentyl-biphenyl-4-carboxylic acid 3-chloro-4-cyano-phenyl ester. It will need reagent Pyridine and solvent Diethyl ether with reaction time of 6 hours. The yield is about 42%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H4ClNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H
(2)InChIKey: BDDVAWDNVWLHDQ-UHFFFAOYAH
(3)Std. InChI: InChI=1S/C7H4ClNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H
(4)Std. InChIKey: BDDVAWDNVWLHDQ-UHFFFAOYSA-N