2089-36-3

This chemical is called 1,3-Benzodioxole-5-carboxaldehyde,oxime, and it can also be named as Piperonal,oxime. With the molecular formula of C₈H₇NO₃, its product categories are Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes. The CAS registry number of this chemical is 2089-36-3. Additionally, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the 1,3-Benzodioxole-5-carboxaldehyde,oxime can be summarised as followings: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 17.64; (6)ACD/BCF (pH 7.4): 17.63; (7)ACD/KOC (pH 5.5): 271.53; (8)ACD/KOC (pH 7.4): 271.37; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 40.05 Å²; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 40.99 cm³; (15)Molar Volume: 119.2 cm³; (16)Polarizability: 16.25×10^-24cm³; (17)Surface Tension: 50.2 dyne/cm; (18)Density: 1.38 g/cm³; (19)Flash Point: 123 °C; (20) Enthalpy of Vaporization: 54.77 kJ/mol; (21)Boiling Point: 279.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00187 mmHg at 25°C.

Uses of this chemical: The 1,3-Benzodioxole-5-carboxaldehyde,oxime could react with butynedioic acid dimethyl ester, and obtain the 3-benzo[1,3]dioxol-5-yl-isoxazole-4-carboxylic acid methyl ester. This reaction needs the reagent of hydroquinone. The yield is 68 %. In addition, this reaction should be taken at 120 °C.

When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.SMILES: O1c2ccc(cc2OC1)\C=N\O
2.InChI: InChI=1/C8H7NO3/c10-9-4-6-1-2-7-8(3-6)12-5-11-7/h1-4,10H,5H2/b9-4+
3.InChIKey: VDAJDWUTRXNYMU-RUDMXATFBP

The toxicity data is as follows: