2,6-Dibromo-4-methylphenol

The 2,6-Dibromo-4-methylphenol with the CAS number 2432-14-6 is also called Phenol,2,6-dibromo-4-methyl-. Its EINECS registry number is 219-404-5. The molecular formula is C₇H₆Br₂O. This chemical belongs to the following product categories: (1)Aromatic Hydrocarbons (substituted) & Derivatives; (2)Aromatic Phenols; (3)Phenol&Thiophenol&Mercaptan; (4)Bromine Compounds; (5)Phenols; (6)Organic Building Blocks; (7)Oxygen Compounds.

The properties of the chemical are: (1)ACD/LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 506.3; (6)ACD/BCF (pH 7.4): 202.13; (7)ACD/KOC (pH 5.5): 2985.54; (8)ACD/KOC (pH 7.4): 1191.95; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 48.33 cm³; (15)Molar Volume: 136.5 cm³; (16)Polarizability: 19.16×10^-24cm³; (17)Surface Tension: 48.8 dyne/cm; (18)Enthalpy of Vaporization: 49.17 kJ/mol; (19)Vapour Pressure: 0.0321 mmHg at 25°C.

Preparation: This chemical can be prepared by 4-methyl-phenol. This reaction needs reagent Br₂ and solvent CHCl₃.

Uses: This chemical can prepare 2-bromo-4-methyl-6-nitro-phenol. This reaction needs reagent glacial acetic acid and sodium nitrite.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(cc(Br)c1O)C
(2)InChI: InChI=1/C7H6Br2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
(3)InChIKey: FIGPGTJKHFAYRK-UHFFFAOYAU

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	500mg/kg (500mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 141, 1953.