2,3,5,6-TETRABROMO-4-METHYLPHENOL

The Phenol,2,3,5,6-tetrabromo-4-methyl-, with CAS registry number 37721-75-8, has the systematic name of 2,3,5,6-tetrabromo-4-methylphenol. This chemical is a kind of off-white to beige-brown crystalline needles. And the chemical formula of this chemical is C₇H₄Br₄O.

Physical properties of Phenol,2,3,5,6-tetrabromo-4-methyl-: (1)ACD/LogP: 5.91; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.5; (4)ACD/LogD (pH 7.4): 3.84; (5)ACD/BCF (pH 5.5): 7049.04; (6)ACD/BCF (pH 7.4): 156; (7)ACD/KOC (pH 5.5): 15088.3; (8)ACD/KOC (pH 7.4): 333.9; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.678; (14)Molar Refractivity: 63.72 cm³; (15)Molar Volume: 168.8 cm³; (16)Polarizability: 25.26×10^-24cm³; (17)Surface Tension: 55.9 dyne/cm; (18)Density: 2.509 g/cm³; (19)Flash Point: 151.8 °C; (20)Enthalpy of Vaporization: 59.23 kJ/mol; (21)Boiling Point: 327.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000106 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-methyl-phenol. This reaction will need reagents aluminium, bromine.

Uses of Phenol,2,3,5,6-tetrabromo-4-methyl-: it can be used to produce 2,3,5,6-tetrachloro-4-methyl-phenol. This reaction will need reagent CuCl and solvent dimethylformamide. The yield is about 66%.

When you are using this chemical, please be cautious about it as the following:
The Phenol,2,3,5,6-tetrabromo-4-methyl- irritates to eyes, respiratory system and skin. When use it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(c(Br)c(Br)c(O)c1Br)C
(2)InChI: InChI=1/C7H4Br4O/c1-2-3(8)5(10)7(12)6(11)4(2)9/h12H,1H3
(3)InChIKey: OMVMKSWFUQZIFD-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H4Br4O/c1-2-3(8)5(10)7(12)6(11)4(2)9/h12H,1H3
(5)Std. InChIKey: OMVMKSWFUQZIFD-UHFFFAOYSA-N