2-(TRIFLUOROACETYL)CYCLOHEXANONE - CAS 387-89-3
Catalog: |
BB043280 |
Product Name: |
2-(TRIFLUOROACETYL)CYCLOHEXANONE |
CAS: |
387-89-3 |
Synonyms: |
2-(2,2,2-Trifluoroacetyl)cyclohexanone; 2-(trifluoroacetyl)cyclohexanone; 2-(trifluoroacetyl)cyclohexan-1-one; 2,2,2-trifluoro-1-(2-oxocyclohexyl)ethan-1-one; AKOS B029513 |
IUPAC Name: | 2-(2,2,2-trifluoroacetyl)cyclohexan-1-one |
Description: | 2-(TRIFLUOROACETYL)CYCLOHEXANONE (CAS# 387-89-3 ) is a useful research chemical. |
Molecular Weight: | 194.15 |
Molecular Formula: | C8H9F3O2 |
Canonical SMILES: | C1CCC(=O)C(C1)C(=O)C(F)(F)F |
InChI: | InChI=1S/C8H9F3O2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h5H,1-4H2 |
InChI Key: | YDFLGIXUFCIELL-UHFFFAOYSA-N |
Boiling Point: | 219.3 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.289 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.05546401 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.05546401 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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