4-(Trifluoromethoxy)benzamidoxime - CAS 56935-71-8
Catalog: |
BB029537 |
Product Name: |
4-(Trifluoromethoxy)benzamidoxime |
CAS: |
56935-71-8 |
Synonyms: |
Benzenecarboximidamide, N-hydroxy-4-(trifluoromethoxy)-; N-Hydroxy-4-(trifluoromethoxy)benzenecarboximidamide; 4-Trifluoromethoxy-N-hydroxybenzamidine |
IUPAC Name: | N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide |
Description: | 4-(Trifluoromethoxy)benzamidoxime (CAS# 56935-71-8) is used as an analyte in the selective, sensitive and fluorometric detection of urinary cytosine. |
Molecular Weight: | 220.15 |
Molecular Formula: | C8H7F3N2O2 |
Canonical SMILES: | C1=CC(=CC=C1C(=NO)N)OC(F)(F)F |
InChI: | InChI=1S/C8H7F3N2O2/c9-8(10,11)15-6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13) |
InChI Key: | COHKFOZYLCDVRK-UHFFFAOYSA-N |
Boiling Point: | 245.0±50.0°C at 760 mmHg |
Melting Point: | 107-109°C |
Purity: | ≥95% |
Density: | 1.44±0.1 g/cm3 |
Appearance: | White Crystalline Powder |
Storage: | Store at RT |
MDL: | MFCD00085175 |
LogP: | 2.38000 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112110908-A | 1, 3-disubstituted indazole compound and preparation method and application thereof | 20200925 |
WO-2021012018-A1 | Inhibitor compounds | 20190724 |
WO-2021011722-A1 | Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto | 20190717 |
WO-2020227101-A1 | Kcnt1 inhibitors and methods of use | 20190503 |
EP-3438091-A1 | Compound having enhancing activity for glucagon-like peptide-1 receptor actions | 20160330 |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 220.04596196 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.04596196 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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