4-(Trifluoromethyl)benzamidoxime - CAS 22179-86-8
Catalog: |
BB017440 |
Product Name: |
4-(Trifluoromethyl)benzamidoxime |
CAS: |
22179-86-8 |
Synonyms: |
N'-hydroxy-4-(trifluoromethyl)benzenecarboximidamide |
IUPAC Name: | N'-hydroxy-4-(trifluoromethyl)benzenecarboximidamide |
Description: | 4-(Trifluoromethyl)benzamidoxime (CAS# 22179-86-8) is a useful research chemical. |
Molecular Weight: | 204.15 |
Molecular Formula: | C8H7F3N2O |
Canonical SMILES: | C1=CC(=CC=C1C(=NO)N)C(F)(F)F |
InChI: | InChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13) |
InChI Key: | QCVFLUSIBKAKPC-UHFFFAOYSA-N |
Boiling Point: | 297.1 °C at 760 mmHg |
Melting Point: | 125-130 °C (lit.) |
Purity: | 95 % |
Density: | 1.4 g/cm3 |
MDL: | MFCD00053042 |
LogP: | 2.50020 |
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 |
Publication Number | Title | Priority Date |
WO-2021012018-A1 | Inhibitor compounds | 20190724 |
WO-2020227101-A1 | Kcnt1 inhibitors and methods of use | 20190503 |
AU-2015342021-A1 | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
AU-2015342021-B2 | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
BR-112017009207-A2 | piperidinylpyrazolopyrimidinones and their use | 20141103 |
PMID | Publication Date | Title | Journal |
21754140 | 20110401 | (Z)-N'-Hy-droxy-4-(trifluoro-meth-yl)benzimidamide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 204.05104734 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.05104734 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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