6-CHLOROPIPERONAL

The 1,3-Benzodioxole-5-carboxaldehyde,6-chloro- is an organic compound with the formula C₈H₅ClO₃. The IUPAC name of this chemical is 6-Chloro-1,3-benzodioxole-5-carbaldehyde. With the CAS registry number 15952-61-1, it is also named as 2-Chloro-4,5-(methylenedioxy)benzaldehyde. Besides, it should be stored in a sealed, dry, well-ventilated, lightproof place.

Physical properties about 1,3-Benzodioxole-5-carboxaldehyde,6-chloro- are: (1)ACD/LogP: 1.87; (2)ACD/LogD (pH 5.5): 1.87; (3)ACD/LogD (pH 7.4): 1.87; (4)ACD/BCF (pH 5.5): 15.61; (5)ACD/BCF (pH 7.4): 15.61; (6)ACD/KOC (pH 5.5): 248.85; (7)ACD/KOC (pH 7.4): 248.85; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 35.53 Å²; (11)Index of Refraction: 1.627; (12)Molar Refractivity: 44.06 cm³; (13)Molar Volume: 124.2 cm³; (14)Polarizability: 17.46×10^-24 cm³; (15)Surface Tension: 58.4 dyne/cm; (16)Density: 1.485 g/cm³; (17)Flash Point: 138.1 °C; (18)Enthalpy of Vaporization: 53.52 kJ/mol; (19)Boiling Point: 295.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00152 mmHg at 25 °C.

Preparation: this chemical can be prepared by (6-Chloro-benzo[1,3]dioxol-5-yl)-methanol. This reaction will need reagent Bis(collidine)bromine(I) hexafluorophosphate and solvent CH₂Cl₂. The reaction time is 10 hours with reaction temperature of 20 °C. The yield is about 75%.

Uses of 1,3-Benzodioxole-5-carboxaldehyde,6-chloro-: it can be used to produce N-[2-Chloro-4,5-(methylenedioxy)benzylidene]-6,7-(methylenedioxy)-1-naphthylamine. It will need solvent ethanol with reaction time of 2 hours. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. 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)InChI: InChI=1/C8H5ClO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-3H,4H2
(2)InChIKey: VRNADRCOROWLJC-UHFFFAOYAT
(3)Std. InChI: InChI=1S/C8H5ClO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-3H,4H2
(4)Std. InChIKey: VRNADRCOROWLJC-UHFFFAOYSA-N