Cyclohexanone oxime - CAS 100-64-1
Catalog: |
BB000278 |
Product Name: |
Cyclohexanone oxime |
CAS: |
100-64-1 |
Synonyms: |
N-cyclohexylidenehydroxylamine |
IUPAC Name: | N-cyclohexylidenehydroxylamine |
Description: | Cyclohexanone oxime (CAS# 100-64-1) is used as a cathodic inhibitor which inhibits the corrosion of aluminum in hydrochloric acid. |
Molecular Weight: | 113.16 |
Molecular Formula: | C6H11NO |
Canonical SMILES: | C1CCC(=NO)CC1 |
InChI: | InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2 |
InChI Key: | VEZUQRBDRNJBJY-UHFFFAOYSA-N |
Boiling Point: | 206-210 °C |
Melting Point: | 88-92 °C |
Purity: | 98 % |
Density: | 1.1 g/cm3 |
Solubility: | less than 1 mg/mL at 68 °F |
Appearance: | Prisms, liquid or light tan crystalline solid. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00001660 |
LogP: | 1.78070 |
GHS Hazard Statement: | H228 (12.15%): Flammable solid [Danger Flammable solids] |
Precautionary Statement: | P210, P240, P241, P260, P264, P270, P273, P280, P301+P312, P305+P351+P338, P314, P330, P337+P313, P370+P378, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22683556 | 20121001 | Spectroscopic (infrared, Raman, UV and NMR) analysis, Gaussian hybrid computational investigation (MEP maps/HOMO and LUMO) on cyclohexanone oxime | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
21212867 | 20110214 | Oximate-substituted zirconium alkoxides | Dalton transactions (Cambridge, England : 2003) |
21079832 | 20110121 | Designed synthesis of TS-1 crystals with controllable b-oriented length | Chemical communications (Cambridge, England) |
21117118 | 20101217 | Reusable task-specific ionic liquids for a clean ε-caprolactam synthesis under mild conditions | ChemSusChem |
21058634 | 20101202 | Dynamics of N-OH bond dissociation in cyclopentanone and cyclohexanone oxime at 193 nm: laser-induced fluorescence detection of nascent OH (v'', J'') | The journal of physical chemistry. A |
Complexity: | 90.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 113.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 113.084063974 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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