CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [HSDB] Yellow powder; [Alfa Aesar MSDS] |
|---|---|
| Color/Form | Monoclinic prisms from alcohol |
| Melting Point | 91.5 °C |
| Solubility | Slightly soluble in water. Soluble in ethanol, ethyl ether, benzene, chloroform, and dilute acid. |
| Vapor Pressure | 0.000138 [mmHg] |
| LogP | log Kow = 1.40 |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Kovats Retention Index | 1756.2 297.78 298.09 298.37 298.46 |
| Other Experimental Properties | UV: 3-177 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Quinoline, 3-nitro/ |
| Chemical Classes | Nitrogen Compounds -> Quinolines |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H351:Carcinogenicity |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 174.16 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 174.042927438 g/mol |
| Monoisotopic Mass | 174.042927438 g/mol |
| Topological Polar Surface Area | 58.7 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 202 |
| 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 |