3-Hydroxy-2-nitrobenzoic acid

The IUPAC name of this hcemical is 3-hydroxy-2-nitrobenzoic acid. With the CAS registry number 602-00-6, it is also named as Benzoic acid, 3-hydroxy-2-nitro-. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid. It is white to light yellow crystal powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 81.35 Å²; (11)Index of Refraction: 1.663; (12)Molar Refractivity: 41.61 cm³; (13)Molar Volume: 112.2 cm³; (14)Polarizability: 16.49×10^-24 cm³; (15)Surface Tension: 84.1 dyne/cm; (16)Enthalpy of Vaporization: 64.24 kJ/mol; (17)Vapour Pressure: 6.68E-06 mmHg at 25°C; (18)Rotatable Bond Count: 1; (19)Tautomer Count: 4; (20)Exact Mass: 183.016772; (21)MonoIsotopic Mass: 183.016772; (22)Topological Polar Surface Area: 103; (23)Heavy Atom Count: 13; (24)Complexity: 223.

Uses of 3-Hydroxy-2-nitrobenzoic acid: It can react with 2,2-diethoxy-ethylamine to get [N-(3-hydroxy-2-nitrobenzoyl)amino]acetaldehyde diethyl acetal. This reaction needs reagent dicyclohexylcarbodiimide and solvent tetrahydrofuran at ambient temperature. The yield is 79%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. 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, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=[N+]([O-])c1c(cccc1O)C(=O)O
2. InChI:InChI=1/C7H5NO5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11)
3. InChIKey:KPDBKQKRDJPBRM-UHFFFAOYAK