3,5-DIBROMO-4-METHYLBENZOIC ACID

The Benzoic acid,3,5-dibromo-4-methyl-, with the CAS registry number 67973-32-4, is also known as 3,5-Dibromo-p-toluic acid. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Acids & Esters; Bromine Compounds. This chemical's molecular formula is C₈H₆Br₂O₂ and formula weight is 293.94. What's more, its systematic name is 3,5-dibromo-4-methylbenzoic acid. It should be sealed and stored in a cool and dry place and be protected from strong oxidizes.

Physical properties of Benzoic acid,3,5-dibromo-4-methyl- are: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 7.51; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 42.81; (8)ACD/KOC (pH 7.4): 2.86; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 53.38 cm³; (15)Molar Volume: 150.6 cm³; (16)Surface Tension: 53.8 dyne/cm; (17)Density: 1.951 g/cm³; (18)Flash Point: 180.3 °C; (19)Enthalpy of Vaporization: 65.62 kJ/mol; (20)Boiling Point: 374.6 °C at 760 mmHg; (21)Vapour Pressure: 2.82E-06 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 sking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(cc(Br)c1C)C(=O)O
(2)InChI: InChI=1S/C8H6Br2O2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)
(3)InChIKey: SJCBUASMFSRONS-UHFFFAOYSA-N