Ethyl 3-(difluoromethyl)-1H-pyrazole-5-carboxylate - CAS 936033-53-3
Catalog: |
BB051764 |
Product Name: |
Ethyl 3-(difluoromethyl)-1H-pyrazole-5-carboxylate |
CAS: |
936033-53-3 |
Synonyms: |
5-difluoromethylpyrazole-3-carboxylic acid ethyl ester; ethyl 3-(difluoromethyl)pyrazole-5-carboxylate; 1H-pyrazole-5-carboxylic acid, 3-(difluoromethyl)-, ethyl ester |
IUPAC Name: | ethyl 5-(difluoromethyl)-1H-pyrazole-3-carboxylate |
Molecular Weight: | 190.15 |
Molecular Formula: | C7H8F2N2O2 |
Canonical SMILES: | CCOC(=O)C1=NNC(=C1)C(F)F |
InChI: | InChI=1S/C7H8F2N2O2/c1-2-13-7(12)5-3-4(6(8)9)10-11-5/h3,6H,2H2,1H3,(H,10,11) |
InChI Key: | SITMASZMBKIGMK-UHFFFAOYSA-N |
Boiling Point: | 317.5±42.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.326±0.06 g/cm3 |
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: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.05538383 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.05538383 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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