50-33-9
Product Name:
Phenylbutazone
Formula:
C19H20N2O2
Synonyms:
4-Butyl-1,2-diphenyl-3,5-pyrazolidinedione;Phenylbutazone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Phenylbutazone appears as odorless white or off-white crystalline powder. Tasteless at first, but slightly bitter aftertaste. pH (aqueous solution) 8.2. (NTP, 1992) |
|---|---|
| Color/Form | Crystals from ethanol |
| Odor | ODORLESS |
| Taste | Slightly bitter taste |
| Melting Point | 219 to 225 °F (NTP, 1992) |
| Solubility | >46.3 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 3.16 |
| LogS | -3.81 |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| pH | pH of aqueous solution = 8.2 |
| Refractive Index | INDICES OF REFRACTION: 1.600 (ALPHA), 1.620 (GAMMA) |
| Dissociation Constants | 4.5 |
| Collision Cross Section | 172.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 2345 2344 2333 2344 2352 2358 2370 2404 2368 2350 2375 2357.1 2365 2394 2358 2344 2345 2370 2365 2365 2370 2370 |
| Other Experimental Properties | Stable if stored at room temperature in closed containers in absence of moisture |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral 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. P301+P310:IF SWALLOWED: 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 | 308.4 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 308.152477885 g/mol |
| Monoisotopic Mass | 308.152477885 g/mol |
| Topological Polar Surface Area | 40.6 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 389 |
| 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
Phenylbutazone appears as odorless white or off-white crystalline powder. Tasteless at first, but slightly bitter aftertaste. pH (aqueous solution) 8.2. (NTP, 1992)