4-Nitro-1,2,3-triazole - CAS 84406-63-3

Name: 4-Nitro-1,2,3-triazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037191
Product Name:	4-Nitro-1,2,3-triazole
CAS:	84406-63-3
Synonyms:	4-nitro-2H-triazole; 4-nitro-2H-triazole

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

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 °C at 760 mmHg
Density:	1.727 g/cm³
LogP:	0.23610

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Triazole/Tetrazole

[1005680-56-7]C13H16F3N5O2S
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[13616-37-0]C5H8N4O2
Ethyl 1H-tetrazole-5-acetate
[1823442-03-0]C8H12BrN3O2
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823783-63-6]C6H8ClN3O2
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[86152-46-7]C6H10N4O2
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
[1823829-53-3]C7H10ClN3O2
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)propanoate

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