4-(HYDROXYMETHYL)BENZONITRILE

This chemical is called Benzonitrile,4-(hydroxymethyl)-, and its systematic name is 4-(Hydroxymethyl)benzonitrile. With the molecular formula of C₈H₇NO, its molecular weight is 133.15. The CAS registry number of this chemical is 874-89-5. Additionally, its product categories are Benzhydrols, Benzyl & Special Alcohols.

Other characteristics of the Benzonitrile,4-(hydroxymethyl)- can be summarised as followings: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 1.34; (6)ACD/BCF (pH 7.4): 1.34; (7)ACD/KOC (pH 5.5): 42.99; (8)ACD/KOC (pH 7.4): 42.99; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 37.47 cm³; (15)Molar Volume: 113.8 cm³; (16)Polarizability: 14.85×10^-24cm³; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 133.6 °C; (20)Enthalpy of Vaporization: 56.73 kJ/mol; (21)Boiling Point: 297.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00061 mmHg at 25°C.

Production method of this chemical: The Benzonitrile,4-(hydroxymethyl)- could be obtained by the reactant of 4-cyano-benzoic acid methyl ester. This reaction needs the reagent of lithium aluminium hydride on silica gel, and the solvent of diethyl ether. The yield is 77 %. In addition, this reaction should be taken for 3 hours. The other condition is heating.

Uses of this chemical: The 4-formyl-benzonitrile could be obtained by the reactant of Benzonitrile,4-(hydroxymethyl)-. This reaction needs the reagents of NaNO₂, Ac₂O. This reaction should be taken at the temperature of 25 °C. The yield is 75 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting 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)CO
2.InChI: InChI=1/C8H7NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,6H2
3.InChIKey: XAASLEJRGFPHEV-UHFFFAOYAD