3-Methyl-5-(trifluoromethyl)pyrazole - CAS 10010-93-2
Catalog: |
BB000086 |
Product Name: |
3-Methyl-5-(trifluoromethyl)pyrazole |
CAS: |
10010-93-2 |
Synonyms: |
5-methyl-3-(trifluoromethyl)-1H-pyrazole |
IUPAC Name: | 5-methyl-3-(trifluoromethyl)-1H-pyrazole |
Description: | 3-Methyl-5-(trifluoromethyl)pyrazole (CAS# 10010-93-2) is a reagent used in the preparation of (fluoromethyl)pyrazole via microwave-assisted Stille coupling. |
Molecular Weight: | 150.10 |
Molecular Formula: | C5H5F3N2 |
Canonical SMILES: | CC1=CC(=NN1)C(F)(F)F |
InChI: | InChI=1S/C5H5F3N2/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3,(H,9,10) |
InChI Key: | DLCHCAYDSKIFIN-UHFFFAOYSA-N |
Boiling Point: | 187.3 °C at 760 mmHg |
Melting Point: | 88-90 °C (lit.) |
Purity: | 95 % |
Density: | 1.355 g/cm3 |
Appearance: | White to orange powder, crystals crystalline powder and/or chunks |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD00156058 |
LogP: | 1.73690 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2016229843-A1 | Aza-heteroaryl compounds as pi3k-gamma inhibitors | 20150209 |
WO-2015050798-A1 | Novel pyrrolidine derived beta 3 adrenergic receptor agonists | 20131003 |
WO-2014206896-A1 | Piperidinecarboxylic acid derivatives as fungicides | 20130624 |
US-2015018376-A1 | Pyrimidin-4-yl)oxy)-1h-indole-1-carboxamide derivatives and use thereof | 20130517 |
WO-2014152738-A1 | Lxr modulators | 20130315 |
PMID | Publication Date | Title | Journal |
21558014 | 20110801 | Structural requirements for the inhibition of calcium mobilization and mast cell activation by the pyrazole derivative BTP2 | The international journal of biochemistry & cell biology |
19565085 | 20090721 | Neutral and cationic main group element cages of germanium(II) with pyrazolyl ligands: solid state structures, DFT calculations and advanced solution NMR investigations | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 123 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.04048265 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.04048265 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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