1-NAPHTHOXYACETIC ACID

The Acetic acid,2-(1-naphthalenyloxy)-, with the CAS registry number 2976-75-2, is also known as 1-Naphthyloxyacetic acid. It belongs to the product categories of Phenoxyacetic Acids and Alcohols (substituted); C11 to C12; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 221-023-4. This chemical's molecular formula is C₁₂H₁₀O₃ and molecular weight is 202.206. Its IUPAC name is called 2-naphthalen-1-yloxyacetic acid. What's more, this chemical is off-white to brown crystalline powder. And it should be sealed and stored in cool and dry place.

Physical properties of Acetic acid,2-(1-naphthalenyloxy)-: (1)ACD/LogP: 2.57; (2)ACD/LogD (pH 5.5): 0.27; (3)ACD/LogD (pH 7.4): -1.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.96; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.637; (12)Molar Refractivity: 56.97 cm³; (13)Molar Volume: 158.6 cm³; (14)Surface Tension: 53.5 dyne/cm; (15)Density: 1.274 g/cm³; (16)Flash Point: 155.8 °C; (17)Enthalpy of Vaporization: 67.29 kJ/mol; (18)Boiling Point: 388.7 °C at 760 mmHg; (19)Vapour Pressure: 9.71E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by chloroacetic acid and naphthalen-1-ol. This reaction will need reagent KOH-solution.

Uses of Acetic acid,2-(1-naphthalenyloxy)-: it can be used to produce N-(4-methyl-pent-3-enyl)-2-(naphthalen-1-yloxy)-acetamide. This reaction will need reagent POCl₃, Et₃N and solvent CH₂Cl₂. The yield is about 70%.

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 addition, you must avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2OCC(=O)O
(2)InChI: InChI=1S/C12H10O3/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,13,14)
(3)InChIKey: GHRYSOFWKRRLMI-UHFFFAOYSA-N