2,4,5-Trihydroxybenzaldehyde (35094-87-2)

The 2,4,5-Trihydroxybenzaldehyde, with the CAS registry number 35094-87-2, is also known as Benzaldehyde, 2,4,5-trihydroxy-. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted); Aldehydes; C7; Carbonyl Compounds. This chemical's molecular formula is C₇H₆O₄ and molecular weight is 154.12. Its IUPAC name is called 2,4,5-trihydroxybenzaldehyde. This chemical is yellow to brown or khaki crystalline powder.

Physical properties of 2,4,5-Trihydroxybenzaldehyde: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.01; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 3.46; (6)ACD/BCF (pH 7.4): 1.72; (7)ACD/KOC (pH 5.5): 84.27; (8)ACD/KOC (pH 7.4): 42.03; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.734; (13)Molar Refractivity: 38.65 cm³; (14)Molar Volume: 96.3 cm³; (15)Surface Tension: 90.5 dyne/cm; (16)Density: 1.598 g/cm³; (17)Melting Point: 223-225 °C(lit.); (18)Flash Point: 196.8 °C; (19)Enthalpy of Vaporization: 65.09 kJ/mol; (20)Boiling Point: 378.4 °C at 760 mmHg; (21)Vapour Pressure: 2.89E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-methoxy-benzo[1,3]dioxole-5-carbaldehyde. This reaction will need reagent AlCl₃ and solvent CHCl₃. The reaction time is 1 hours. The yield is about 56%.

Uses of 2,4,5-Trihydroxybenzaldehyde: it can be used to produce 2,5-dihydroxy-4-methoxymethoxy-benzaldehyde. This reaction will need reagent K₂CO₃. The yield is about 94%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It 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)Canonical SMILES: C1=C(C(=CC(=C1O)O)O)C=O
(2)InChI: InChI=1S/C7H6O4/c8-3-4-1-6(10)7(11)2-5(4)9/h1-3,9-11H
(3)InChIKey: WNCNWLVQSHZVKV-UHFFFAOYSA-N