434-45-7
Product Name:
Trifluoroacetophenone
Formula:
C8H5F3O
Synonyms:
α,α,α-Trifluoroacetophenone;Phenyl trifluoromethyl ketone
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CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless liquid; [Alfa Aesar MSDS] |
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Vapor Pressure | 1.22 [mmHg] |
Kovats Retention Index | 866 |
Chemical Classes | Toxic Gases & Vapors -> Tear Gas Agents |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 174.12 g/mol |
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XLogP3 | 2.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 1 |
Exact Mass | 174.02924926 g/mol |
Monoisotopic Mass | 174.02924926 g/mol |
Topological Polar Surface Area | 17.1 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 168 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |