CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid; Liquid, Other Solid; Other Solid |
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Kovats Retention Index | 1407.3 |
Other Experimental Properties | WAXY OR POWDERED SOLIDS OR LIQUIDS; NONFOAMING, NONIONIC /SURFYNOL/ |
Chemical Classes | Other Classes -> Other Organic Compounds |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H317:Sensitisation, Skin H318:Serious eye damage/eye irritation H412:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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 | 226.35 g/mol |
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XLogP3 | 2.7 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 6 |
Exact Mass | 226.193280068 g/mol |
Monoisotopic Mass | 226.193280068 g/mol |
Topological Polar Surface Area | 40.5 Ų |
Heavy Atom Count | 16 |
Formal Charge | 0 |
Complexity | 256 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 2 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |