4-Bromophenoxybenzene

The Benzene,1-bromo-4-phenoxy-, with CAS registry number 101-55-3, belongs to the following product categories: (1)Biphenyl & Diphenyl ether; (2)Alcohol& Phenol& Ethers; (3)API intermediates. It has the systematic name of 1-bromo-4-phenoxybenzene. This chemical is a kind of light yellow liquid. What's more, its EINECS is 202-952-4.

Physical properties of Benzene,1-bromo-4-phenoxy-: (1)ACD/LogP: 5.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.11; (4)ACD/LogD (pH 7.4): 5.11; (5)ACD/BCF (pH 5.5): 4504; (6)ACD/BCF (pH 7.4): 4504; (7)ACD/KOC (pH 5.5): 14349.57; (8)ACD/KOC (pH 7.4): 14349.57; (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: 1.601; (14)Molar Refractivity: 60.38 cm³; (15)Molar Volume: 176.2 cm³; (16)Polarizability: 23.93×10^-24cm³; (17)Surface Tension: 42.1 dyne/cm; (18)Enthalpy of Vaporization: 52.89 kJ/mol; (19)Vapour Pressure: 0.00112 mmHg at 25°C.

Uses of Benzene,1-bromo-4-phenoxy-: it can be used to produce 4-phenoxy-phenyl mercaptan. This reaction will need reagents Mg, I₂, S₈, LiAlH and solvent tetrahydrofuran. The reaction time is 3 hour(s) with reaction temperature of 20 ℃. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-4-phenoxy- is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release it to the environment. Refer to special instructions / safety data sheets. This chemical is harmful: may cause lung damage if swallowed. Its vapours may cause drowsiness and dizziness. It irritates to skin. This chemical is highly flammable. It has risk of serious damage to the eyes and it may cause sensitization by skin contact. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. This material and its container must be disposed of as hazardous waste. If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(Oc1ccccc1)cc2
(2)InChI: InChI=1/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
(3)InChIKey: JDUYPUMQALQRCN-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
(5)Std. InChIKey: JDUYPUMQALQRCN-UHFFFAOYSA-N