57-41-0
Product Name:
5,5-Diphenylhydantoin
Formula:
C15H12N2O2
Synonyms:
5,5-Diphenyl-2,4-imidazolidinedione;5,5-Diphenylhydantoin;Phenytoin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Phenytoin appears as fine white or almost white crystalline powder. Odorless or almost odorless. Tasteless. (NTP, 1992) |
|---|---|
| Color/Form | Needles (alcohol) |
| Odor | Odorless |
| Melting Point | 563 to 568 °F (NTP, 1992) |
| Solubility | >37.8 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 2.47 |
| Stability/Shelf Life | Sensitive to light |
| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen oxides/. |
| Ionization Efficiency | Positive |
| Caco2 Permeability | -4.57 |
| Dissociation Constants | 8.33 |
| Kovats Retention Index | 2310 2350 2365 2347 2308 2340 2360 2380 2306.8 2317.8 2299.2 2292 2335 2310 2385 2330 |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 1.06X10-11 cu cm/molec-sec at 25 °C |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H351:Carcinogenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 252.27 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 252.089877630 g/mol |
| Monoisotopic Mass | 252.089877630 g/mol |
| Topological Polar Surface Area | 58.2 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 350 |
| 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
Phenytoin appears as fine white or almost white crystalline powder. Odorless or almost odorless. Tasteless. (NTP, 1992)