2,3-DIBROMO-3-(4-CHLOROPHENYL)PROPANOIC ACID

The Benzenepropanoicacid, α,β-dibromo-4-chloro- is an organic compound with the formula C₉H₇Br₂ClO₂. The IUPAC name of this chemical is 2,3-Dibromo-3-(4-chlorophenyl)propanoic acid. With the CAS registry number 24653-99-4, it is also named as 2,3-Dibromo-3-(p-chlorophenyl)propionic acid. The categories of the product are Aromatics Compounds; Aromatics. Besides, its molecular weight is 342.41. And it is light yellow solid.

The physical properties of Benzenepropanoicacid, α,β-dibromo-4-chloro- are: (1)ACD/LogP: 4.24; (2)ACD/LogD (pH 5.5): 1.04; (3)ACD/LogD (pH 7.4): 0.51; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.05; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.64; (13)Molar Refractivity: 62.31 cm³; (14)Molar Volume: 172.8 cm³; (15)Polarizability: 24.7×10^-24 cm³; (16)Surface Tension: 60.3 dyne/cm; (17)Density: 1.981 g/cm³; (18)Flash Point: 169.8 °C; (19)Enthalpy of Vaporization: 63.57 kJ/mol; (20)Boiling Point: 357.1 °C at 760 mmHg; (21)Vapour Pressure: 1.01E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by 3-(4-Chloro-phenyl)-acrylic acid. This reaction will need reagent bromine and solvent CCl₄. The yield is about 80%.

Uses of Benzenepropanoicacid, α,β-dibromo-4-chloro-: it can be used to produce (Z)-p-Chloro-β-bromostyrene. It will need reagent NaHCO₃ and solvent acetone. The yield is about 91%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(Br)C(Br)C(=O)O
(2)InChI: InChI=1/C9H7Br2ClO2/c10-7(8(11)9(13)14)5-1-3-6(12)4-2-5/h1-4,7-8H,(H,13,14)
(3)InChIKey: VVMCVHQTBODLRQ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H7Br2ClO2/c10-7(8(11)9(13)14)5-1-3-6(12)4-2-5/h1-4,7-8H,(H,13,14)
(5)Std. InChIKey: VVMCVHQTBODLRQ-UHFFFAOYSA-N