2',5'-Bis(trifluoromethyl)acetophenone - CAS 545410-47-7
Catalog: |
BB028715 |
Product Name: |
2',5'-Bis(trifluoromethyl)acetophenone |
CAS: |
545410-47-7 |
Synonyms: |
1-[2,5-bis(trifluoromethyl)phenyl]ethanone; 1-[2,5-bis(trifluoromethyl)phenyl]ethanone |
IUPAC Name: | 1-[2,5-bis(trifluoromethyl)phenyl]ethanone |
Description: | 2',5'-Bis(trifluoromethyl)acetophenone (CAS# 545410-47-7) is a compound used as a potent inhibitor of bovine mitochondrial F1F0 ATP hydrolase. |
Molecular Weight: | 256.14 |
Molecular Formula: | C10H6F6O |
Canonical SMILES: | CC(=O)C1=C(C=CC(=C1)C(F)(F)F)C(F)(F)F |
InChI: | InChI=1S/C10H6F6O/c1-5(17)7-4-6(9(11,12)13)2-3-8(7)10(14,15)16/h2-4H,1H3 |
InChI Key: | ZBIHDCGAPRWDOA-UHFFFAOYSA-N |
Boiling Point: | 206.1 °C at 760 mmHg |
Density: | 1.362 g/cm3 |
Solubility: | Sparingly soluble in water. |
Appearance: | Liquid |
MDL: | MFCD04116044 |
LogP: | 3.92680 |
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 |
Publication Number | Title | Priority Date |
JP-2011226846-A | Fractionation method and analysis method of fluorine-containing copolymer | 20100416 |
US-2011207739-A1 | Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof | 20100225 |
US-8304415-B2 | 1, 2-disubstituted amido-anthraquinone derivatives, preparation method and application thereof | 20100225 |
EP-2338935-A1 | Fluorine-containing copolymer composition and process for production thereof | 20081016 |
EP-2338935-B1 | Fluorine-containing copolymer composition and process for production thereof | 20081016 |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.03228378 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.03228378 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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