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2,4-Dichlorophenylacetic acid

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Name

2,4-Dichlorophenylacetic acid

EINECS 243-248-7
CAS No. 19719-28-9 Density 1.456 g/cm3
PSA 37.30000 LogP 2.62050
Solubility soluble in hot water and methanol Melting Point 129-131 °C(lit.)
Formula C8H6Cl2O2 Boiling Point 325.196 °C at 760 mmHg
Molecular Weight 205.04 Flash Point 150.474 °C
Transport Information N/A Appearance white to pale yellowish-beige crystalline powder
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 19719-28-9 (2,4-Dichlorophenylacetic acid) Hazard Symbols IrritantXi
Synonyms

Aceticacid, (2,4-dichlorophenyl)- (6CI,7CI,8CI);2-(2,4-Dichlorophenyl)acetic acid;NSC 54853;

Article Data 14

2,4-Dichlorophenylacetic acid Specification

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%.

2,4-Dichlorophenylacetic acid can be used to produce ethyl 2,4-dichlorophenylacetate

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 

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