2,3-DIHYDRO-1-BENZOFURAN-5-YL ISOCYANATE

The Benzofuran,2,3-dihydro-5-isocyanato-, with CAS registry number 215162-92-8, belongs to the following product category: Isocyanate. It has the systematic name of 5-isocyanato-2,3-dihydrobenzofuran. Besides this, it is also called 2,3-Dihydro-1-benzofuran-5-yl isocyanate. And the chemical formula of this chemical is C₉H₇NO₂.

Physical properties of Benzofuran,2,3-dihydro-5-isocyanato-: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.356; (4)ACD/LogD (pH 7.4): 2.356; (5)ACD/BCF (pH 5.5): 36.327; (6)ACD/BCF (pH 7.4): 36.327; (7)ACD/KOC (pH 5.5): 455.44; (8)ACD/KOC (pH 7.4): 455.44; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.66 Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 44.217 cm³; (15)Molar Volume: 128.821 cm³; (16)Polarizability: 17.529×10^-24cm³; (17)Surface Tension: 46.742 dyne/cm; (18)Density: 1.251 g/cm³; (19)Flash Point: 142.541 °C; (20)Enthalpy of Vaporization: 51.928 kJ/mol; (21)Boiling Point: 280.531 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzofuran,2,3-dihydro-5-isocyanato- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: c1cc2c(cc1N=C=O)CCO2
(2)InChI: InChI=1/C9H7NO2/c11-6-10-8-1-2-9-7(5-8)3-4-12-9/h1-2,5H,3-4H2
(3)InChIKey: WAIKTAFMGLVRJC-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H7NO2/c11-6-10-8-1-2-9-7(5-8)3-4-12-9/h1-2,5H,3-4H2
(5)Std. InChIKey: WAIKTAFMGLVRJC-UHFFFAOYSA-N