4-(2-hydroxyethyl)benzonitrile

The CAS register number of Benzonitrile,4-(2-hydroxyethyl)- is 69395-13-7. It also can be called as 2-(4-Cyanophenyl)ethanol and the IUPAC name about this chemical is 4-(2-hydroxyethyl)benzonitrile. The molecular formula about this chemical is C₉H₉NO and the molecular weight is 147.17. It belongs to the following product categories which include Nitrile; Benzhydrols, Benzyl & Special Alcohols and so on.

Physical properties about Benzonitrile,4-(2-hydroxyethyl)- are: (1)ACD/LogP: 0.80; (2)ACD/LogD (pH 5.5): 0.8; (3)ACD/LogD (pH 7.4): 0.8; (4)ACD/BCF (pH 5.5): 2.37; (5)ACD/BCF (pH 7.4): 2.37; (6)ACD/KOC (pH 5.5): 64.54; (7)ACD/KOC (pH 7.4): 64.54; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 33.02Ų; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 42.11 cm³; (14)Molar Volume: 130.3 cm³; (15)Polarizability: 16.69x10^-24cm³; (16)Surface Tension: 51 dyne/cm; (17)Enthalpy of Vaporization: 57.05 kJ/mol; (18)Boiling Point: 300.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000507 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-cyano-benzenesulfonic acid 2-bromo-ethyl ester at heating. This reaction will also produce 4-cyano-benzenesulfonic acid ethyl ester and 1,1-dioxo-3,4-dihydro-1H-1l6-benzo[c][1,2]oxathiine-6-carbonitrile. It will need reagent AIBN, Bu3SnH and solvent benzene. The reaction time is 12 hour(s). The yield is about 38%.

Uses of Benzonitrile,4-(2-hydroxyethyl)-: it can be used to produce 4-(2-bromo-ethyl)-benzonitrile. This reaction will need reagent PBr₃.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation or in contact with skin and if swallowed, it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, 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)SMILES: N#Cc1ccc(cc1)CCO
(2)InChI: InChI=1/C9H9NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,11H,5-6H2
(3)InChIKey: RBSJBNYPTGMZIH-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H9NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,11H,5-6H2
(5)Std. InChIKey: RBSJBNYPTGMZIH-UHFFFAOYSA-N