2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate - CAS 81265-32-9
Catalog: |
BB056972 |
Product Name: |
2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate |
CAS: |
81265-32-9 |
Synonyms: |
N-(2,2,2-Trifluoroethoxycarbonyl)imidazole; 2,2,2-trifluoroethyl 1H-imidazole-1-carboxylate; 2,2,2-trifluoroethyl imidazole-1-carboxylate; 1H-Imidazole-1-carboxylic acid, 2,2,2-trifluoroethyl ester; 2,2,2-Tfi |
IUPAC Name: | 2,2,2-trifluoroethyl imidazole-1-carboxylate |
Description: | 2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate (cas# 81265-32-9) is a useful research chemical. |
Molecular Weight: | 194.11 |
Molecular Formula: | C6H5N2O2F3 |
Canonical SMILES: | C1=CN(C=N1)C(=O)OCC(F)(F)F |
InChI: | InChI=1S/C6H5F3N2O2/c7-6(8,9)3-13-5(12)11-2-1-10-4-11/h1-2,4H,3H2 |
InChI Key: | VHSLGTPKFRBITL-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/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 |
Publication Number | Title | Priority Date |
CA-3056886-A1 | Substituted dihydroindene-4-carboxamides and analogs thereof, and methods using same | 20170321 |
EP-3601216-A1 | Substituted dihydroindene-4-carboxamides and analogs thereof, and methods using same | 20170321 |
US-2020024226-A1 | Substituted dihydroindene-4-carboxamides and analogs thereof, and methods using same | 20170321 |
WO-2018172852-A1 | Substituted dihydroindene-4-carboxamides and analogs thereof, and methods using same | 20170321 |
US-11098010-B2 | Substituted dihydroindene-4-carboxamides and analogs thereof, and methods using same | 20170321 |
JP-WO2012161119-A1 | Novel spiropiperidine derivatives and pharmaceuticals containing the same | 20110520 |
TW-201300393-A | Novel spiropiperidine derivatives and medicines containing the same | 20110520 |
WO-2012161119-A1 | Novel spiropiperidine derivative and pharmaceutical product containing same | 20110520 |
EP-2586781-A1 | Novel condensed pyridine or condensed pyrimidine derivative, and medicinal agent comprising same | 20100625 |
JP-5889788-B2 | Novel condensed pyridine or condensed pyrimidine derivative and pharmaceutical containing the same | 20100625 |
PMID | Publication Date | Title | Journal |
5810 | 19750601 | Proceedings: Anti-histaminic properties of robinul and hexopyrronium | West African journal of pharmacology and drug research |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.03031189 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.03031189 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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