CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Light yellow to yellow solid; [HSDB] Deep yellow flakes; [MSDSonline] |
|---|---|
| Color/Form | Yellow needles from ether or petroleum ether |
| Melting Point | 85 °C |
| Solubility | Insoluble in water |
| Vapor Pressure | 0.00000548 [mmHg] |
| Henry's Law Constant | Henry's Law constant = 5.30X10-8 atm-cu m/mole at 20 °C |
| Stability/Shelf Life | APPEAR TO BE STABLE IN ACID SOLN, BUT ARE SUSCEPTIBLE TO DECOMPOSITION BY UV RADIATION IN ALKALINE SOLN. /DINITROPHENOLS/ |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Dissociation Constants | pKa = 4.23 at 25 °C |
| Chemical Classes | Nitrogen Compounds -> Nitrophenols |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H228:Flammable solids H300:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 198.13 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 198.02767130 g/mol |
| Monoisotopic Mass | 198.02767130 g/mol |
| Topological Polar Surface Area | 112 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 221 |
| 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 |