3H-Pyrazol-3-one,2,4-dihydro-2-methyl-5-(trifluoromethyl)- - CAS 1481-02-3
Catalog: |
BB053516 |
Product Name: |
3H-Pyrazol-3-one,2,4-dihydro-2-methyl-5-(trifluoromethyl)- |
CAS: |
1481-02-3 |
Synonyms: |
METHYL-3-TRIFLUOROMETHYL-2-PYRAZOLIN-5-ONE; BUTTPARK 24\09-48; 1-METHYL-3-TRIFLUOROMETHYL-2-PYRAZOLIN-5-ONE; 1-METHYL-3-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOL-5-ONE; 2-METHYL-5-(TRIFLUOROMETHYL)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE; 1-Methyl-3-trifluormethyl-2-pyra |
IUPAC Name: | 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one |
Molecular Weight: | 166.1 |
Molecular Formula: | C5H5F3N2O |
Canonical SMILES: | CN1C(=O)CC(=N1)C(F)(F)F |
InChI: | InChI=1S/C5H5F3N2O/c1-10-4(11)2-3(9-10)5(6,7)8/h2H2,1H3 |
InChI Key: | SYHYFYSGUQRNRS-UHFFFAOYSA-N |
Boiling Point: | 101.6±50.0 °C at 760 mmHg |
Melting Point: | 78 °C |
Purity: | 98% |
Density: | 1.5±0.1 g/cm3 |
Appearance: | White Powder |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.03539727 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.03539727 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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