2,4-DIBROMOPHENOXYACETIC ACID

The Acetic acid,2-(2,4-dibromophenoxy)-, with the CAS registry number 10129-78-9, is also known as 2,4-Dibromophenoxyacetic acid 98%. Its EINECS number is 233-364-6. This chemical's molecular formula is C₈H₆Br₂O₃ and molecular weight is 309.9394. Its IUPAC name is called 2-(2,4-dibromophenoxy)acetic acid. 

Physical properties of Acetic acid,2-(2,4-dibromophenoxy)-: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (4)ACD/LogD (pH 7.4): -0.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.87; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.611; (13)Molar Refractivity: 54.5 cm³; (14)Molar Volume: 156.9 cm³; (15)Surface Tension: 54.5 dyne/cm; (16)Density: 1.974 g/cm³; (17)Flash Point: 184.2 °C; (18)Enthalpy of Vaporization: 66.37 kJ/mol; (19)Boiling Point: 380.9 °C at 760 mmHg; (20)Vapour Pressure: 1.75E-06 mmHg at 25°C.

Uses of Acetic acid,2-(2,4-dibromophenoxy)-: it can be used to produce 3-(3-bromo-4-methoxy-phenyl)-6-(2,4-dibromo-phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole by heating. This reaction will need reagent POCl₃ with reaction time of 3 hours. The yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Br)Br)OCC(=O)O
(2)InChI: InChI=1S/C8H6Br2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
(3)InChIKey: LIIAWXHMVYLFGT-UHFFFAOYSA-N