4-IODOPHENYL ISOCYANATE

The CAS register number of Benzene,1-iodo-4-isocyanato- is 15845-62-2. It also can be called as 4-Iodophenyl isocyanate and the IUPAC name about this chemical is 1-iodo-4-isocyanatobenzene. The molecular formula about this chemical is C₇H₄INO and the molecular weight is 245.02. It belongs to the following product categories which include Isocyanates; Nitrogen Compounds; Organic Building Blocks and so on.

Physical properties about Benzene,1-iodo-4-isocyanato- are: (1)ACD/LogP: 3.86; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 29.43 Å²; (5)Index of Refraction: 1.636; (6)Molar Refractivity: 48.81 cm³; (7)Molar Volume: 136.1 cm³; (8)Polarizability: 19.35x10^-24cm³; (9)Surface Tension: 47.8 dyne/cm; (10)Density: 1.79 g/cm³; (11)Flash Point: 103.8 °C; (12)Enthalpy of Vaporization: 48.52 kJ/mol; (13)Boiling Point: 248 °C at 760 mmHg; (14)Vapour Pressure: 0.0248 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-iodo-aniline and carbonyl dichloride. This reaction will need reagents of toluene, benzene.

Uses of Benzene,1-iodo-4-isocyanato-: it can be used to produce 1-(4-iodo-phenyl)-3-pyridin-4-yl-urea with pyridin-4-ylamine. This reaction will need solvent of tetrahydrofuran. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It may cause damage to health and it is irritating to eyes, respiratory system and skin. If you want to use this chemical, please wear suitable protective clothing and do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in room temperature and with dry protection gas in dry, well ventilated places. It should avoid contact with oxide, water, light, heat, alcohol, amine and strong acids.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(\N=C=O)cc1
(2)InChI: InChI=1/C7H4INO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
(3)InChIKey: KVMKUTIUJGYHBA-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H4INO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
(5)Std. InChIKey: KVMKUTIUJGYHBA-UHFFFAOYSA-