3,5-Difluorobenzaldehyde

The 3,5-Difluorobenzaldehyde with CAS registry number of 32085-88-4 is also known as Benzaldehyde, 3,5-difluoro-. The IUPAC name and product name are the same. It belongs to product categories of Aromatic Aldehydes & Derivatives (substituted); Miscellaneous; Fluorobenzaldehyde Series; Aldehydes; C7; Carbonyl Compounds. In addition, the formula is C₇H₄F₂O and the molecular weight is 142.10. This chemical is a colorless to pale yellow liquid and should be stored in sealed containers in cool and dry place away from oxidizing agents.

Physical properties about 3,5-Difluorobenzaldehyde are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.18; (5)ACD/BCF (pH 5.5): 26.76; (6)ACD/BCF (pH 7.4): 26.76; (7)ACD/KOC (pH 5.5): 365.96; (8)ACD/KOC (pH 7.4): 365.96; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.514; (13)Molar Refractivity: 32.99 cm³; (14)Molar Volume: 109.5 cm³; (15)Surface Tension: 35.1 dyne/cm; (16)Density: 1.297 g/cm³; (17)Flash Point: 56.1 °C; (18)Enthalpy of Vaporization: 40.3 kJ/mol; (19)Boiling Point: 166.5 °C at 760 mmHg; (20)Vapour Pressure: 1.78 mmHg at 25 °C.

Preparation of 3,5-Difluorobenzaldehyde: it is prepared by reaction of N-(3,5-difluorobenzyl) n-(2-cyanoethyl)-4-methylaniline. The reaction is a vilsmeier reaction that needs reagents POCl₃, H₂O and solvent dimethylformamide. The yield is about 39%.

Uses of 3,5-Difluorobenzaldehyde: it is used to produce 3,5-difluorocinnamic acid by reaction with malonic acid. The reaction occurs with reagents pyridine, piperidine at 100 °C for 2 hours and then at 155 °C for 1 hour. The yield is about 66%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=C(C=C(C=C1F)F)C=O
2. InChI: InChI=1S/C7H4F2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
3. InChIKey: ASOFZHSTJHGQDT-UHFFFAOYSA-N