2,4-Dihydroxybenzoic acid

The 2,4-Dihydroxybenzoic acid, with the CAS registry number 89-86-1, is also known as beta-Resorcylic acid. It belongs to the product categories of Intermediates of Dyes and Pigments; Fine Chemical & Intermediates; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid Derivative; Organic acids; Building Blocks; C7; Carbonyl Compounds; Carboxylic Acids; Chemical Synthesis; Organic Building Blocks. Its EINECS number is 201-946-9. This chemical's molecular formula is C₇H₆O₄ and molecular weight is 154.12. What's more, its systematic name is 2,4-Dihydroxybenzoic acid. Its classification code is Reproductive Effect. This chemical should be sealed and stored in a cool and dry place. It is used as an intermediate for dyestuffs and drugs. is a dihydroxybenzoic acid. As a resorcyclic acid, it is one of the three isomeric crystalline acids that are both carboxyl derivatives of resorcinol and dihydroxy derivatives of benzoic acid. It is a degradation product of cyanidin glycosides from tart cherries in cell cultures. It is also a metabolite found in human plasma after cranberry juice consumption. 

Physical properties of 2,4-Dihydroxybenzoic acid are: (1)ACD/LogP: 1.765; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.08; (4)ACD/LogD (pH 7.4): -1.39; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 77.76 Å²; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 36.946 cm³; (15)Molar Volume: 98.823 cm³; (16)Polarizability: 14.647×10^-24cm³; (17)Surface Tension: 84.3 dyne/cm; (18)Density: 1.56 g/cm³; (19)Flash Point: 218.835 °C; (20)Enthalpy of Vaporization: 70.412 kJ/mol; (21)Boiling Point: 414.833 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,4-dihydroxy-benzaldehyde. This reaction will need reagents NaClO₂, CH₃ONa and solvent dimethylsulfoxide. The yield is about 95%.

Uses of 2,4-Dihydroxybenzoic acid: it can be used to produce 2,4-dihydroxy-benzoic acid methyl ester by heating. It will need reagent H₂SO₄ with the reaction time of 72 hours. The yield is about 100%.

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. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1O)O)C(=O)O
(2)Std. InChI: InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)
(3)Std. InChIKey: UIAFKZKHHVMJGS-UHFFFAOYSA-N

The toxicity data is as follows: