3-(DIFLUOROMETHOXY)BROMOBENZENE

The IUPAC name of 3-(Difluoromethoxy)bromobenzene is 1-bromo-3-(difluoromethoxy)benzene. With the CAS registry number 262587-05-3, it is also named as Benzene,1-bromo-3-(difluoromethoxy)-. The product's categories are Ethers; Organic Building Blocks; Oxygen Compounds. Besides, it is liquid, which should be stored in closed, cool, ventilated and dry place. In addition, its molecular formula is C₇H₅BrF₂O and its molecular weight is 223.01.

The other characteristics of 3-(Difluoromethoxy)bromobenzene can be summarized as: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 160.63; (6)ACD/BCF (pH 7.4): 160.63; (7)ACD/KOC (pH 5.5): 1319.87; (8)ACD/KOC (pH 7.4): 1319.87; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 40.9 cm³; (15)Molar Volume: 140.8 cm³; (16)Polarizability: 16.21×10^-24cm³; (17)Surface Tension: 30.4 dyne/cm; (18)Density: 1.582 g/cm³; (19)Flash Point: 87 °C; (20)Enthalpy of Vaporization: 41.56 kJ/mol; (21)Boiling Point: 197.2 °C at 760 mmHg; (22)Vapour Pressure: 0.54 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1cc(OC(F)F)ccc1
(2)InChI: InChI=1/C7H5BrF2O/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4,7H
(3)InChIKey: NWBDGKNKAFGQQL-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H5BrF2O/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4,7H
(5)Std. InChIKey: NWBDGKNKAFGQQL-UHFFFAOYSA-N