2-BROMOPHENYL ISOCYANATE

The Benzene,1-bromo-2-isocyanato- is an organic compound with the formula C₇H₄BrNO. The IUPAC name of this chemical is 1-Bromo-2-isocyanatobenzene. With the CAS registry number 1592-00-3, it is also named as 2-Bromophenyl isocyanate. The product's categories are Isocyanates; Nitrogen Compounds; Organic Building Blocks. Besides, it is clear colorless liquid, which should be stored in a cool, sealed, dry place.

Physical properties about Benzene,1-bromo-2-isocyanato- are: (1)ACD/LogP: 3.30; (2)ACD/LogD (pH 5.5): 3.3; (3)ACD/LogD (pH 7.4): 3.3; (4)ACD/BCF (pH 5.5): 189.63; (5)ACD/BCF (pH 7.4): 189.63; (6)ACD/KOC (pH 5.5): 1486.4; (7)ACD/KOC (pH 7.4): 1486.4; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.43 Å²; (11)Index of Refraction: 1.581; (12)Molar Refractivity: 43.71 cm³; (13)Molar Volume: 131 cm³; (14)Polarizability: 17.33×10^-24 cm³; (15)Surface Tension: 44.6 dyne/cm; (16)Density: 1.51 g/cm³; (17)Flash Point: 92.2 °C; (18)Enthalpy of Vaporization: 52.05 kJ/mol; (19)Boiling Point: 281.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00352 mmHg at 25 °C.

Uses of Benzene,1-bromo-2-isocyanato-: it can be used to produce 1-(2-Bromo-phenyl)-3-pyridin-4-yl-urea. It will need solvent Tetrahydrofuran. The yield is about 77%.

When you are using this chemical, please be cautious about it as the following:
It may cause sensitization by inhalation. And it is harmful by inhalation, in contact with skin and if swallowed. It is toxic by inhalation. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer), and wear protective clothing, suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H4BrNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
(2)InChIKey: GOOVAYJIVMBWPP-UHFFFAOYAT
(3)Std. InChI: InChI=1S/C7H4BrNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
(4)Std. InChIKey: GOOVAYJIVMBWPP-UHFFFAOYSA-N