2-Naphthoic acid

Reported in EPA TSCA Inventory.

The IUPAC name of 2-Naphthoic acid is naphthalene-2-carboxylic acid. With the CAS registry number 93-09-4, it is also named as 2-Maythic acid; 2-Carboxynaphthalene. The product's categories are naphthalene derivatives; organic acids; absolute configuration determination (exciton chirality CD method); analytical chemistry; enantiomer excess & absolute configuration determination. It is white flake or needle-like crystals which is soluble in ether and alcohol, slightly soluble in hot water. In addition, 2-Naphthoic acid is used as intermediates in organic synthesis and plant growth regulator.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 6.79; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 58.06; (8)ACD/KOC (pH 7.4): 1.6; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.673; (13)Molar Refractivity: 51.02 cm³; (14)Molar Volume: 136 cm³; (15)Polarizability: 20.22×10^-24 cm³; (16)Surface Tension: 56.5 dyne/cm; (17)Enthalpy of Vaporization: 60.77 kJ/mol; (18)Vapour Pressure: 5.63E-05 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 172.05243; (21)MonoIsotopic Mass: 172.05243; (22)Topological Polar Surface Area: 37.3; (23)Heavy Atom Count: 13.

Preparation of 2-Naphthoic acid: Naphthonitrile is synthetized by naphthylamine with diazotization using sodium nitrite. And then the product is obtained by hydrolysis and neutralization.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin, so people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure. 
1. SMILES: O=C(O)c2ccc1c(cccc1)c2;
2. InChI: InChI=1/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13).

The following are the toxicity data which has been tested.