3-Nitropyrazole - CAS 26621-44-3
Catalog: |
BB019329 |
Product Name: |
3-Nitropyrazole |
CAS: |
26621-44-3 |
Synonyms: |
5-nitro-1H-pyrazole; 5-nitro-1H-pyrazole |
IUPAC Name: | 5-nitro-1H-pyrazole |
Description: | 3-Nitropyrazole (CAS# 26621-44-3) is a useful research chemical. |
Molecular Weight: | 113.07 |
Molecular Formula: | C3H3N3O2 |
Canonical SMILES: | C1=C(NN=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C3H3N3O2/c7-6(8)3-1-2-4-5-3/h1-2H,(H,4,5) |
InChI Key: | MZRUFMBFIKGOAL-UHFFFAOYSA-N |
Boiling Point: | 334 °C at 760 mmHg |
Density: | 1.552 g/cm3 |
MDL: | MFCD00159621 |
LogP: | 0.84110 |
GHS Hazard Statement: | H302 (93.62%): 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, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112939867-A | Preparation method of 4-nitropyrazole | 20210407 |
CN-113292500-A | Difluoromethyl building block and one-pot derivatization reaction thereof | 20210206 |
CN-112062754-A | Preparation method of intermediate for synthesizing Dorzagliatin | 20200924 |
WO-2021210650-A1 | Aryl or heteroaryl derivative | 20200416 |
WO-2021211741-A1 | Substituted pyridines for the treatment of inflammatory diseases | 20200414 |
PMID | Publication Date | Title | Journal |
19144460 | 20090730 | A simple approach for predicting impact sensitivity of polynitroheteroarenes | Journal of hazardous materials |
17183449 | 20060101 | Inhibition of mitochondrial complex II affects dopamine metabolism and decreases its uptake into striatal synaptosomes | Folia neuropathologica |
15930893 | 20050701 | Cytotoxic activity of 3-nitropyrazolo[5,1-c][1,2,4]benzotriazine derivatives: a new series of anti-proliferative agents | Anti-cancer drugs |
Complexity: | 99.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 113.022526347 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 113.022526347 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Pyrazoles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS