4-Nitro-1,2,3-triazole - CAS 84406-63-3
Catalog: |
BB037191 |
Product Name: |
4-Nitro-1,2,3-triazole |
CAS: |
84406-63-3 |
Synonyms: |
4-nitro-2H-triazole; 4-nitro-2H-triazole |
IUPAC Name: | 4-nitro-2H-triazole |
Description: | 4-Nitro-1,2,3-triazole (CAS# 84406-63-3) is a highly impact sensitive and explosive material. |
Molecular Weight: | 114.06 |
Molecular Formula: | C2H2N4O2 |
Canonical SMILES: | C1=NNN=C1[N+](=O)[O-] |
InChI: | InChI=1S/C2H2N4O2/c7-6(8)2-1-3-5-4-2/h1H,(H,3,4,5) |
InChI Key: | YXFWFUSVDJIVIV-UHFFFAOYSA-N |
Boiling Point: | 356.1 ℃ at 760 mmHg |
Density: | 1.727 g/cm3 |
LogP: | 0.23610 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2015366887-A1 | Substituted nucleosides, nucleotides and analogs thereof | 20140624 |
WO-2015200205-A1 | Substituted nucleosides, nucleotides and analogs thereof | 20140624 |
WO-2015200219-A1 | Substituted nucleosides, nucleotides and analogs thereof | 20140624 |
WO-2015144652-A2 | Heterocyclic compounds for the control of unwanted microorganisms | 20140327 |
US-2015105341-A1 | Substituted nucleosides, nucleotides and analogs thereof | 20131011 |
PMID | Publication Date | Title | Journal |
22577943 | 20120817 | Identification of novel inhibitors of M. tuberculosis growth using whole cell based high-throughput screening | ACS chemical biology |
22664468 | 20120604 | Synthesis, radiolabeling and biological evaluation of propylene amine oxime complexes containing nitrotriazoles as hypoxia markers | Molecules (Basel, Switzerland) |
21369618 | 20110421 | Coordination of mercury(II) to gold nanoparticle associated nitrotriazole towards sensitive colorimetric detection of mercuric ion with a tunable dynamic range | The Analyst |
20871855 | 20110101 | High Efficacy of Preoperative Low-Dose Radiotherapy with Sanazole (AK-2123) for Extraskeletal Ewing's Sarcoma: A Case Report | Sarcoma |
20644616 | 20100713 | In vitro and in vivo high-throughput assays for the testing of anti-Trypanosoma cruzi compounds | PLoS neglected tropical diseases |
Complexity: | 98.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.01777532 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.01777532 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 87.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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