3,5-Dimethyl-4-nitropyrazole - CAS 14531-55-6
Catalog: |
BB009922 |
Product Name: |
3,5-Dimethyl-4-nitropyrazole |
CAS: |
14531-55-6 |
Synonyms: |
3,5-dimethyl-4-nitro-1H-pyrazole; 3,5-dimethyl-4-nitro-1H-pyrazole |
IUPAC Name: | 3,5-dimethyl-4-nitro-1H-pyrazole |
Description: | 3,5-Dimethyl-4-nitropyrazole (CAS# 14531-55-6) is a useful research chemical. |
Molecular Weight: | 141.13 |
Molecular Formula: | C5H7N3O2 |
Canonical SMILES: | CC1=C(C(=NN1)C)[N+](=O)[O-] |
InChI: | InChI=1S/C5H7N3O2/c1-3-5(8(9)10)4(2)7-6-3/h1-2H3,(H,6,7) |
InChI Key: | OFQCJVVJRNPSET-UHFFFAOYSA-N |
Boiling Point: | 304.5 ℃ at 760 mmHg |
Density: | 1.339 g/cm3 |
Appearance: | White to light yellow crystalline powder |
MDL: | MFCD00052513 |
LogP: | 1.45790 |
GHS Hazard Statement: | H302 (95.35%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112876689-A | Metal-organic framework material and preparation method and application thereof | 20210118 |
WO-2021210534-A1 | Urethane compound | 20200413 |
WO-2021199894-A1 | Thermal barrier film | 20200330 |
JP-2021155696-A | Epoxy resin and electrodeposition paint | 20200327 |
WO-2021193635-A1 | Epoxy resin and electrodeposition coating | 20200327 |
PMID | Publication Date | Title | Journal |
21448244 | 20110208 | Michael-type addition of azoles of broad-scale acidity to methyl acrylate | Beilstein journal of organic chemistry |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.053826475 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Pyrazoles
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