2-Chloro-4-fluorobenzaldehyde

This product is an organic compound with the formula C₇H₄ClFO. The systematic name of this chemical is 2-Chloro-4-fluorobenzaldehyde. With the CAS registry number 84194-36-5, it is also named as Benzaldehyde, 2-chloro-4-fluoro-. It belongs to the product categories of Fluorin-contained benzaldehyde series; Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Fluorobenzene; Miscellaneous; Adehydes, Acetals & Ketones; Chlorine Compounds; Fluorine Compounds; Aldehydes; C7; Carbonyl Compounds. In addition, the molecular weight is 158.56. Moreover, it should be protected from oxides, air and bases. The product should be sealed and stored in containers with nitrogen which are placed in cool and dry places. Moreover, it should be protected from oxides, water and bases. It is used as intermediates of medicine, pesticide and liquid crystal materials.

Physical properties of 2-Chloro-4-fluorobenzaldehyde are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.406; (4)ACD/LogD (pH 7.4): 2.406; (5)ACD/BCF (pH 5.5): 39.694; (6)ACD/BCF (pH 7.4): 39.694; (7)ACD/KOC (pH 5.5): 485.267; (8)ACD/KOC (pH 7.4): 485.267; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 37.895 cm³; (15)Molar Volume: 117.26 cm³; (16)Polarizability: 15.023×10^-24cm³; (17)Surface Tension: 40.235 dyne/cm; (18)Density: 1.352 g/cm³; (19)Flash Point: 80.931 °C; (20)Enthalpy of Vaporization: 44.072 kJ/mol; (21)Boiling Point: 204.493 °C at 760 mmHg; (22)Vapour Pressure: 0.263 mmHg at 25°C.

Preparation: this chemical can be prepared by 9-(2-chloro-4-fluorobenzylidene)fluorene at the temperature of 10 - 15 °C. This reaction will need reagent potassium t-butoxide and solvent 2-methyl-propan-2-ol with the reaction time of 1 hour. Moreover, it will need reflux for 3 hours. The yield is about 88.5%.

Uses of 2-Chloro-4-fluorobenzaldehyde: it can be used to produce 2,4-dichloro-benzaldehyde at the temperature of 220 °C. It will need reagent KF and solvent tetrahydrothiophene 1,1-dioxide with the reaction time of 12 hours. The yield is about 66%.

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, 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(cc1F)Cl)C=O
(2)Std. InChI: InChI=1S/C7H4ClFO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H
(3)Std. InChIKey: KMQWNQKESAHDKD-UHFFFAOYSA-N