5-INDANYL ISOCYANATE

The 5-Isocyanatoindane with the cas number 120912-37-0 is also called 1H-Indene,2,3-dihydro-5-isocyanato-. Both the systematic name and IUPAC name are 5-isocyanato-2,3-dihydro-1H-indene. Its molecular formula is C₁₀H₉NO. This chemical belongs to the following product categories: (1)ISOCYANATE; (2)Isocyanates; (3)Nitrogen Compounds; (4)Organic Building Blocks.

The properties of the chemical are: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.7; (4)ACD/LogD (pH 7.4): 3.7; (5)ACD/BCF (pH 5.5): 384.3; (6)ACD/BCF (pH 7.4): 384.3; (7)ACD/KOC (pH 5.5): 2464.39; (8)ACD/KOC (pH 7.4): 2464.39; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.43 Å²; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 47.43 cm³; (15)Molar Volume: 138.4 cm³; (16)Polarizability: 18.8×10^-24cm³; (17)Surface Tension: 43.8 dyne/cm; (18)Enthalpy of Vaporization: 50.16 kJ/mol; (19)Vapour Pressure: 0.0101 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. And it is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should not breathe vapour and wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C=N\c1ccc2c(c1)CCC2
(2)InChI: InChI=1/C10H9NO/c12-7-11-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3H2
(3)InChIKey: PYJJKIOYUUDDDM-UHFFFAOYAN