3,5-Bis(trifluoromethyl)benzamidoxime - CAS 72111-09-2
Catalog: |
BB034543 |
Product Name: |
3,5-Bis(trifluoromethyl)benzamidoxime |
CAS: |
72111-09-2 |
Synonyms: |
N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide |
IUPAC Name: | N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide |
Description: | 3,5-Bis(trifluoromethyl)benzamidoxime (CAS# 72111-09-2) is a useful research chemical. |
Molecular Weight: | 272.15 |
Molecular Formula: | C9H6F6N2O |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=NO)N |
InChI: | InChI=1S/C9H6F6N2O/c10-8(11,12)5-1-4(7(16)17-18)2-6(3-5)9(13,14)15/h1-3,18H,(H2,16,17) |
InChI Key: | GGAPMNUHESBFNK-UHFFFAOYSA-N |
Boiling Point: | 283.8 ℃ at 760 mmHg |
Density: | 1.54 g/cm3 |
Appearance: | White to off-white solid |
MDL: | MFCD00068188 |
LogP: | 3.51900 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]; H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2013131018-A1 | Biaryl inhibitors of the sodium channel | 20120302 |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 272.03843179 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.03843179 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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