ETHYL 4-HYDROXY-3-NITROBENZOATE

The Benzoic acid,4-hydroxy-3-nitro-, ethyl ester, with the CAS registry number 19013-10-6, is also known as 4-Hydroxy-3-nitrobenzoic acid ethyl ester. It belongs to the product category of Aromatic Esters. Its EINECS registry number is 242-751-9. This chemical's molecular formula is C₉H₉NO₅ and molecular weight is 211.1715. Its systematic name is called ethyl 4-hydroxy-3-nitrobenzoate.

Physical properties of Benzoic acid,4-hydroxy-3-nitro-, ethyl ester: (1)ACD/LogP: 2.52; (2)ACD/LogD (pH 5.5): 2.17; (3)ACD/LogD (pH 7.4): 0.56; (4)ACD/BCF (pH 5.5): 21.84; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 252.92; (7)ACD/KOC (pH 7.4): 6.16; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 51.08 cm³; (13)Molar Volume: 154.1 cm³; (14)Surface Tension: 56.4 dyne/cm; (15)Density: 1.37 g/cm³; (16)Flash Point: 149.5 °C; (17)Enthalpy of Vaporization: 58.8 kJ/mol; (18)Boiling Point: 323.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000138 mmHg at 25°C.

Uses of Benzoic acid,4-hydroxy-3-nitro-, ethyl ester: it can be used to produce 3-amino-4-hydroxy-benzoic acid ethyl ester. This reaction will need reagent aluminium amalgam.

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. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1O)C(=O)OCC
(2)InChI: InChI=1/C9H9NO5/c1-2-15-9(12)6-3-4-8(11)7(5-6)10(13)14/h3-5,11H,2H2,1H3
(3)InChIKey: FBHJNBWUGONVNS-UHFFFAOYAI