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2,6-Dibromo-4-methylphenol

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Name

2,6-Dibromo-4-methylphenol

EINECS 219-404-5
CAS No. 2432-14-6 Density 1.948 g/cm3
PSA 20.23000 LogP 3.22560
Solubility N/A Melting Point 49-50 °C(lit.)
Formula C7H6Br2O Boiling Point 235.8 °C at 760 mmHg
Molecular Weight 265.932 Flash Point 96.4 °C
Transport Information N/A Appearance White to gray powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2432-14-6 (2,6-Dibromo-4-methylphenol) Hazard Symbols IrritantXiCorrosiveC
Synonyms

p-Cresol,2,6-dibromo- (6CI,7CI,8CI);2,6-Dibromo-4-cresol;2,6-Dibromo-4-methylphenol;2,6-Dibromo-p-cresol;Dibromocresol;NSC 76596;

Article Data 65

2,6-Dibromo-4-methylphenol Specification

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.

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