3,4-Diaminofurazan
Synonym(s):1,2,5-Oxadiazole-3,4-diamine
- CAS NO.:17220-38-1
- Empirical Formula: C2H4N4O
- Molecular Weight: 100.08
- MDL number: MFCD00138084
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-05-22 09:19:20
What is 3,4-Diaminofurazan?
Description
3,4-Diaminofurazan (DAF) is a simple furanocyclic compound. Since DAF molecule has two highly reactive neighbouring amino groups, it is considered to be the basic structure for the preparation of other complex energetic compounds by oxidation, acylation and azide reactions. Energetic compounds based on DAF include: aminonitrofurazan (ANF), 3,4-dinitrofurazan (DNF), 4,4-diamino-3,3-diazofurazan (DAAF) and 4,4-diamino-3,3-diazofurazan (DAAzF).
Chemical properties
white to slightly beige crystalline powder
The Uses of 3,4-Diaminofurazan
3,4-Diaminofurazan is a building block used to prepare magnesium and zinc alkynylated salicylaldehyde-diamine Schiff base complexes. 3,4-Diaminofurazan is also used to prepare aryl(hydroxy)oxadiazolopyrazines via oxidation of acetophenones followed by heterocyclization with antibacterial-activities.
structure and hydrogen bonding
The unit cell parameter for monoclinic crystals of 3,4-Diaminofurazan at 20℃: a = 3.6035(3), b = 11.141(2), c = 10.329(1)Å, β = 94.80(1) , V = 413.2(1)Å3, Z = 4, dcalc = 1.61 g/cm 3, space group C2/c[1]
.
References
[1] A. S. Batsanov, Yu. T. Struchkov. “Crystal structure of 3,4-diaminofurazan and 3-amino-4-nitrofurazan.” Journal of Structural Chemistry 26 1 (1985): 52–56.
Properties of 3,4-Diaminofurazan
Melting point: | 178-183 °C |
Boiling point: | 304.0±45.0 °C(Predicted) |
Density | 1.582±0.06 g/cm3(Predicted) |
storage temp. | 2-8°C |
form | Crystalline Powder |
pka | 1.31±0.47(Predicted) |
color | White to slightly beige |
InChI | InChI=1S/C2H4N4O/c3-1-2(4)6-7-5-1/h(H2,3,5)(H2,4,6) |
CAS DataBase Reference | 17220-38-1(CAS DataBase Reference) |
Safety information for 3,4-Diaminofurazan
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3,4-Diaminofurazan
InChIKey | JHJVSUCUNFXIHN-UHFFFAOYSA-N |
SMILES | O1N=C(N)C(N)=N1 |
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