CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid |
---|---|
Boiling Point | 138.00 to 140.00 °C. @ 760.00 mm Hg |
Melting Point | -49 °C |
Kovats Retention Index | 877 874 873.5 867 870 855 868 869 868 869 |
SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H226:Flammable liquids H332:Acute toxicity,inhalation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
COMPUTED DESCRIPTORS
Molecular Weight | 112.19 g/mol |
---|---|
XLogP3 | 2.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 0 |
Exact Mass | 112.03467143 g/mol |
Monoisotopic Mass | 112.03467143 g/mol |
Topological Polar Surface Area | 28.2 Ų |
Heavy Atom Count | 7 |
Formal Charge | 0 |
Complexity | 61.2 |
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 |