2,4-DIMETHOXYPHENYL ISOTHIOCYANATE

The Benzene,1-isothiocyanato-2,4-dimethoxy-, with the CAS registry number 33904-03-9, is also known as 2,4-Dimethoxyphenyl isothiocyanate. This chemical's molecular formula is C₉H₉NO₂S and molecular weight is 195.24. What's more, its systematic name is 1-isothiocyanato-2,4-dimethoxybenzene. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxides .

Physical properties of Benzene,1-isothiocyanato-2,4-dimethoxy- are: (1)ACD/LogP: 4.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.22; (4)ACD/BCF (pH 5.5): 951.24; (5)ACD/KOC (pH 5.5): 4714.75; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 62.91 Å²; (10)Index of Refraction: 1.537; (11)Molar Refractivity: 54.25 cm³; (12)Molar Volume: 173.5 cm³; (13)Polarizability: 21.51×10^-24cm³; (14)Surface Tension: 33.9 dyne/cm; (15)Density: 1.12 g/cm³; (16)Flash Point: 154 °C; (17)Enthalpy of Vaporization: 55.09 kJ/mol; (18)Boiling Point: 331 °C at 760 mmHg; (19)Vapour Pressure: 0.000308 mmHg at 25°C.

Uses of Benzene,1-isothiocyanato-2,4-dimethoxy-: it can be used to produce C₃₄H₃₈N₄O₄S₂ at the temperature of 20 °C. It will need solvent CH₂Cl₂. The yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: S=C=N/c1ccc(OC)cc1OC
(2)InChI: InChI=1S/C9H9NO2S/c1-11-7-3-4-8(10-6-13)9(5-7)12-2/h3-5H,1-2H3
(3)InChIKey: CNXSCEPTSXPBTP-UHFFFAOYSA-N