Ethyl [5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate - CAS 299405-24-6
Catalog: |
BB047230 |
Product Name: |
Ethyl [5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate |
CAS: |
299405-24-6 |
Synonyms: |
(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid ethyl ester; [5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid ethyl ester; ethyl 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate |
IUPAC Name: | ethyl 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate |
Description: | Ethyl [5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate (CAS# 299405-24-6 ) is a useful research chemical. |
Molecular Weight: | 236.19 |
Molecular Formula: | C9H11F3N2O2 |
Canonical SMILES: | CCOC(=O)CN1C(=CC(=N1)C(F)(F)F)C |
InChI: | InChI=1S/C9H11F3N2O2/c1-3-16-8(15)5-14-6(2)4-7(13-14)9(10,11)12/h4H,3,5H2,1-2H3 |
InChI Key: | OYQJSLHHRPECLL-UHFFFAOYSA-N |
Boiling Point: | 259.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.3 g/cm3 |
Appearance: | Solid |
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: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.07726208 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.07726208 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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