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CAS No.: | 22026-39-7 |
---|---|
Name: | 3,4-METHYLENEDIOXYBENZHYDRAZIDE |
Molecular Structure: | |
Formula: | C8H8N2O3 |
Molecular Weight: | 180.163 |
Synonyms: | Piperonylicacid, hydrazide (8CI);1,3-Benzodioxole-5-carbohydrazide;2H-Benzo[d]-1,3-dioxolane-5-carbohydrazide;3,4-(Methylenedioxy)benzohydrazide;3,4-Methylenedioxybenzhydrazide; |
Density: | 1.406 g/cm3 |
Melting Point: | 174 °C |
Solubility: | Slightly soluble in water. |
Hazard Symbols: | Xi |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 73.58000 |
LogP: | 1.11000 |
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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