CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Clear liquid; [MSDSonline] Boiling point = 86 deg C; [ChemIDplus] |
---|---|
Kovats Retention Index | 680 |
Chemical Classes | Other Classes -> Aliphatics, Unsaturated |
SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 Health Hazard GHS08 Environment GHS09 |
GHS Hazard Statements |
H225:Flammable liquids H304:Aspiration hazard H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H336:Specific target organ toxicity,single exposure; Narcotic effects H411:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
Molecular Weight | 78.11 g/mol |
---|---|
XLogP3 | 1.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 1 |
Exact Mass | 78.0469501914 g/mol |
Monoisotopic Mass | 78.0469501914 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 6 |
Formal Charge | 0 |
Complexity | 86.5 |
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 |
PRODUCT INTRODUCTION
description
Hexa-1,5-diyne is an alkadiyne and a terminal acetylenic compound.