(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-5-yl)methanol - CAS 1296225-26-7
Catalog: |
BB051687 |
Product Name: |
(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-5-yl)methanol |
CAS: |
1296225-26-7 |
Synonyms: |
[1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methan-1-ol |
IUPAC Name: | [2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol |
Molecular Weight: | 180.13 |
Molecular Formula: | C6H7F3N2O |
Canonical SMILES: | C1=C(N(N=C1)CC(F)(F)F)CO |
InChI: | InChI=1S/C6H7F3N2O/c7-6(8,9)4-11-5(3-12)1-2-10-11/h1-2,12H,3-4H2 |
InChI Key: | OLEOSAFQUZVEJJ-UHFFFAOYSA-N |
Boiling Point: | 229.2±40.0 °C at 760 mmHg |
Density: | 1.4±0.1 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: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.05104734 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.05104734 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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