3-Benzofuranacetonitrile (52407-43-9)

The Benzofuran-3-acetonitrile, with the cas registry number of 52407-43-9, has the systematic name of 1-benzofuran-3-ylacetonitrile. And its product categories are various, including Furan&Benzofuran; Benzofurans; Building Blocks; Heterocyclic Building Blocks. The molecular formula of the chemical is C₁₀H₇NO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.39; (6)ACD/BCF (pH 7.4): 16.39; (7)ACD/KOC (pH 5.5): 257.62; (8)ACD/KOC (pH 7.4): 257.62; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.93 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 45.85 cm³; (15)Molar Volume: 132.5 cm³; (16)Polarizability: 18.17×10^-24cm³; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.185 g/cm³; (19)Flash Point: 130 °C; (20)Enthalpy of Vaporization: 53.09 kJ/mol; (21)Boiling Point: 291.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00195 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: (1)Harmful by inhalation, in contact with skin and if swallowed; (2)Irritating to eyes, respiratory system and skin; (3)Do not breathe dust; (4)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (5)Wear suitable protective clothing, gloves and eye/face protection

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#CCc1c2ccccc2oc1
(2)InChI: InChI=1/C10H7NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2
(3)InChIKey: BJAJKVZABJZXDC-UHFFFAOYAL