CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Fine, deep brown crystals; [Aldrich MSDS] Hygroscopic; [Acros Organics MSDS] |
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Chemical Classes | Nitrogen Compounds -> Other Nitrogen Rings |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H314:Skin corrosion/irritation H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P310:Immediately call a POISON CENTER or doctor/physician. 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 | 229.10 g/mol |
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Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 1 |
Exact Mass | 228.0221037 g/mol |
Monoisotopic Mass | 228.0221037 g/mol |
Topological Polar Surface Area | 16.8 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 124 |
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 | 3 |
Compound Is Canonicalized | Yes |