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Basic Information
CAS No.: 2876-75-7
Name: butyl 2-naphthalen-1-ylacetate
Molecular Structure:
Molecular Structure of 2876-75-7 (butyl 2-naphthalen-1-ylacetate)
Formula: C16H18O2
Molecular Weight: 242.318
Synonyms: Butyl 1-naphthylacetate;
Density: 1.072 g/cm3
Boiling Point: 361.2 °C at 760 mmHg
Flash Point: 143.6 °C
PSA: 26.30000
LogP: 3.72560
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Specification

The 1-Naphthaleneaceticacid, butyl ester, with the CAS registry number 2876-75-7, is also known as Butyl 1-naphthylacetate. This chemical's molecular formula is C16H18O2 and molecular weight is 242.3129. What's more, its systematic name is called Butyl naphthalen-1-ylacetate.

Physical properties about this chemical are: (1)ACD/LogP: 4.79; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.568; (8)Molar Refractivity: 73.95 cm3; (9)Molar Volume: 225.8 cm3; (10)Polarizability: 29.31×10-24 cm3; (11)Surface Tension: 41 dyne/cm; (12)Density: 1.072 g/cm3; (13)Flash Point: 143.6 °C; (14)Enthalpy of Vaporization: 60.7 kJ/mol; (15)Boiling Point: 361.2 °C at 760 mmHg; (16)Vapour Pressure: 2.1E-05 mmHg at 25 °C.

Preparation of 1-Naphthaleneaceticacid, butyl ester: this chemical can be prepared by 1-Bromo-butane and Naphthalen-1-yl-acetic acid.

1-Naphthaleneaceticacid, butyl ester can be prepared by 1-Bromo-butane and Naphthalen-1-yl-acetic acid

This reaction needs reagents K2CO3, Tetrabutylammonium bromide and solvents H2O, Benzene. This reaction will occur in the condition of heating for 6 hours. The yield is 89 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCC)Cc2cccc1ccccc12
(2) InChI: InChI=1/C16H18O2/c1-2-3-11-18-16(17)12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,2-3,11-12H2,1H3
(3) InChIKey: ONFNCARYSQWBPI-UHFFFAOYAH