2-ETHOXYPHENYL ISOTHIOCYANATE

The Benzene,1-ethoxy-2-isothiocyanato-, with the CAS registry number 23163-84-0, is also known as 2-Ethoxyphenyl isothiocyanate, 99%. Its EINECS registry number is 245-468-9. This chemical's molecular formula is C₉H₉NOS and molecular weight is 179.23886. Its IUPAC name is called 1-ethoxy-2-isothiocyanatobenzene.

Physical properties of Benzene,1-ethoxy-2-isothiocyanato-: (1)ACD/LogP: 4.53; (2)ACD/LogD (pH 5.5): 4.53; (3)ACD/LogD (pH 7.4): 4.53; (4)ACD/BCF (pH 5.5): 1624.16; (5)ACD/BCF (pH 7.4): 1624.16; (6)ACD/KOC (pH 5.5): 6914.59; (7)ACD/KOC (pH 7.4): 6914.59; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.544; (11)Molar Refractivity: 53.05 cm³; (12)Molar Volume: 167.8 cm³; (13)Surface Tension: 34.6 dyne/cm; (14)Density: 1.06 g/cm³; (15)Flash Point: 131.1 °C; (16)Enthalpy of Vaporization: 51.14 kJ/mol; (17)Boiling Point: 293.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00306 mmHg at 25°C.

Uses of Benzene,1-ethoxy-2-isothiocyanato-: it can be used to produce 1-[5-(4-chloro-phenylazo)-4-phenyl-thiazol-2-yl]-3-(2-ethoxy-phenyl)-thiourea by heating. This reaction will need solvent benzene. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. Besides, this chemical that at low levels can cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC1=CC=CC=C1N=C=S
(2)InChI: InChI=1S/C9H9NOS/c1-2-11-9-6-4-3-5-8(9)10-7-12/h3-6H,2H2,1H3
(3)InChIKey: MAHMRCJOZYLGOW-UHFFFAOYSA-N