2,4-Dichlorophenylacetic acid

The 2,4-Dichlorophenylacetic acid, with the CAS registry number 19719-28-9, is also known as 2-(2,4-Dichlorophenyl)acetic acid. It belongs to the product categories of Aromatic Phenylacetic Acids and Derivatives; Organic acids; 8000 Series Solidwaste Methods; EPA; Method 8150/8151; C8; Carbonyl Compounds Building Blocks; Carbonyl Compounds; Carboxylic Acids; Chemical Synthesis; Organic Building Blocks. Its EINECS number is 243-248-7. This chemical's molecular formula is C₈H₆Cl₂O₂ and molecular weight is 205.04. What's more, its systematic name is (2,4-Dichlorophenyl)acetic acid. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from oxides and light. It is used as pharmaceutical intermediates.

Physical properties of 2,4-Dichlorophenylacetic acid are: (1)ACD/LogP: 2.564; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1.35; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 15.30; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 47.157 cm³; (15)Molar Volume: 140.778 cm³; (16)Polarizability: 18.694×10^-24cm³; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 1.456 g/cm³; (19)Flash Point: 150.474 °C; (20)Enthalpy of Vaporization: 59.885 kJ/mol; (21)Boiling Point: 325.196 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of 2,4-Dichlorophenylacetic acid: it can be used to produce ethyl 2,4-dichlorophenylacetate. It will need reagent H₂SO₄ and solvent benzene. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
This chemical 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. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)ccc1CC(=O)O
(2)Std. InChI: InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)
(3)Std. InChIKey: GXMWLJKTGBZMBH-UHFFFAOYSA-N