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1,3-Benzodioxole-5-carbohydrazide

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Name

1,3-Benzodioxole-5-carbohydrazide

EINECS N/A
CAS No. 22026-39-7 Density 1.406 g/cm3
PSA 73.58000 LogP 1.11000
Solubility Slightly soluble in water. Melting Point 174 °C
Formula C8H8N2O3 Boiling Point N/A
Molecular Weight 180.163 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 22026-39-7 (3,4-METHYLENEDIOXYBENZHYDRAZIDE) Hazard Symbols IrritantXi
Synonyms

Piperonylicacid, hydrazide (8CI);1,3-Benzodioxole-5-carbohydrazide;2H-Benzo[d]-1,3-dioxolane-5-carbohydrazide;3,4-(Methylenedioxy)benzohydrazide;3,4-Methylenedioxybenzhydrazide;

 

1,3-Benzodioxole-5-carbohydrazide Specification

The 1,3-Benzodioxole-5-carboxylicacid, hydrazide, with CAS registry number 22026-39-7, has the systematic name of 1,3-benzodioxole-5-carbohydrazide. Besides this, it is also called 3,4-Methylenedioxybenzhydrazide. And the chemical formula of this chemical is C8H8N2O3.

Physical properties of 1,3-Benzodioxole-5-carboxylicacid, hydrazide: (1)ACD/LogP: 0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.36; (4)ACD/LogD (pH 7.4): 0.36; (5)ACD/BCF (pH 5.5): 1.1; (6)ACD/BCF (pH 7.4): 1.1; (7)ACD/KOC (pH 5.5): 37.23; (8)ACD/KOC (pH 7.4): 37.32; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.01 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 44.93 cm3; (15)Molar Volume: 128.1 cm3; (16)Polarizability: 17.81×10-24cm3; (17)Surface Tension: 65.8 dyne/cm; (18)Density: 1.406 g/cm3.

When you are using this chemical, please be cautious about it as the following:
The 1,3-Benzodioxole-5-carboxylicacid, hydrazide irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc2OCOc2c1)NN
(2)InChI: InChI=1/C8H8N2O3/c9-10-8(11)5-1-2-6-7(3-5)13-4-12-6/h1-3H,4,9H2,(H,10,11)
(3)InChIKey: RAXBGBHBUFGWPG-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H8N2O3/c9-10-8(11)5-1-2-6-7(3-5)13-4-12-6/h1-3H,4,9H2,(H,10,11)
(5)Std. InChIKey: RAXBGBHBUFGWPG-UHFFFAOYSA-N

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