CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid; mp = 8.2 deg C; [Merck Index] Yellow liquid; [MSDSonline] |
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Kovats Retention Index | 296.62 289.7 |
Chemical Classes | Other Classes -> Aromatic Hydrocarbons |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Environment GHS09 |
GHS Hazard Statements |
H411:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P273:Avoid release to the environment. P391:Collect spillage. Hazardous to the aquatic environment P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 180.24 g/mol |
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XLogP3 | 4.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 2 |
Exact Mass | 180.093900383 g/mol |
Monoisotopic Mass | 180.093900383 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 160 |
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 |