2-Furoyltrifluoroacetone - CAS 326-90-9
Catalog: |
BB047102 |
Product Name: |
2-Furoyltrifluoroacetone |
CAS: |
326-90-9 |
Synonyms: |
4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione; Furoyltrifluoroacetone; Perfluoroacetyl(2-furoyl)methane; 1,3-Butanedione, 4,4,4-trifluoro-1-(2-furanyl)-; 1-(2-Furyl)-4,4,4-trifluoro-1,3-butanedione |
IUPAC Name: | 4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione |
Description: | 2-Furoyltrifluoroacetone (CAS# 326-90-9 ) is a useful research chemical. |
Molecular Weight: | 206.12 |
Molecular Formula: | C8H5F3O3 |
Canonical SMILES: | C1=COC(=C1)C(=O)CC(=O)C(F)(F)F |
InChI: | InChI=1S/C8H5F3O3/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2 |
InChI Key: | OWLPCALGCHDBCN-UHFFFAOYSA-N |
Boiling Point: | 229.7±35.0 °C at 760 mmHg |
Melting Point: | 19-21 °C(lit.) |
Purity: | 95 % |
Density: | 1.4±0.1 g/cm3 |
Appearance: | Clear yellow liquid |
Storage: | Refrigerator (+4 °C) |
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 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.0190785 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.0190785 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 47.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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