1-(Difluoromethyl)-4-nitropyrazole - CAS 956477-64-8
Catalog: |
BB041790 |
Product Name: |
1-(Difluoromethyl)-4-nitropyrazole |
CAS: |
956477-64-8 |
Synonyms: |
1-(difluoromethyl)-4-nitropyrazole; 1-(difluoromethyl)-4-nitropyrazole |
IUPAC Name: | 1-(difluoromethyl)-4-nitropyrazole |
Description: | 1-(Difluoromethyl)-4-nitropyrazole (CAS# 956477-64-8) is a useful research chemical. |
Molecular Weight: | 163.08 |
Molecular Formula: | C4H3F2N3O2 |
Canonical SMILES: | C1=C(C=NN1C(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C4H3F2N3O2/c5-4(6)8-2-3(1-7-8)9(10)11/h1-2,4H |
InChI Key: | VCURCUIEDUUUEA-UHFFFAOYSA-N |
Boiling Point: | 87-90 °C (20 mmHg) |
LogP: | 1.70960 |
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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111732535-A | Photochemical synthesis method of heteroaryl amine compound | 20200810 |
CN-111732535-B | Photochemical synthesis method of heteroaryl amine compound | 20200810 |
WO-2021207659-A1 | Crystalline forms of (9r, 135s)-13- {4-[5-chloro-2-(4-chloro-1h,2,3- triazol- 1 -yl)phenyl] -6-oxo- 1,6-dihydropyrimidin- 1-yl}-3-(difluoromethyl)-9-methyl-3,4,7,15- tetraazatricyclo [ 12.3.1.02·6] octadeca- 1(18), 2(6), 4, 14, 16-pentaen-8-one | 20200410 |
WO-2021147953-A1 | Pyrimido five-membered ring derivative and application thereof | 20200121 |
CN-112654605-A | Bridged heterocyclic group substituted pyrimidine compound and preparation method and medical application thereof | 20190809 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.01933267 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.01933267 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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