ETHYL 2-NAPHTHOATE

The 2-Naphthalenecarboxylicacid, ethyl ester, with the CAS registry number 3007-91-8 and EINECS registry number 221-119-6, has the systematic name of ethyl naphthalene-2-carboxylate. And the molecular formula of the chemical is C₁₃H₁₂O₂.

The characteristics of 2-Naphthalenecarboxylicacid, ethyl ester are as followings: (1)ACD/LogP: 3.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.96; (4)ACD/LogD (pH 7.4): 3.96; (5)ACD/BCF (pH 5.5): 599.9; (6)ACD/BCF (pH 7.4): 599.9; (7)ACD/KOC (pH 5.5): 3389.62; (8)ACD/KOC (pH 7.4): 3389.62; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 60.5 cm³; (15)Molar Volume: 177.9 cm³; (16)Polarizability: 23.98×10^-24cm³; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.125 g/cm³; (19)Flash Point: 148.7 °C; (20)Enthalpy of Vaporization: 54.92 kJ/mol; (21)Boiling Point: 308.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000678 mmHg at 25°C.

Uses of 2-Naphthalenecarboxylicacid, ethyl ester: It can react with acetonitrile to 3-[2]naphthyl-3-oxo-propionitrile. This reaction will need reagent NaH, and the menstruum toluene. The reaction time is 24 hours with temperature of 90°C, and the yield is about 81%. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)c2ccc1c(cccc1)c2
(2)InChI: InChI=1/C13H12O2/c1-2-15-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
(3)InChIKey: HQKSINSCHCDMLS-UHFFFAOYAW