8.20534

5,5-Diphenylhydantoin

for synthesis

• Synonym(s): 5,5-Diphenylhydantoin, Phenytoin
• Empirical Formula (Hill Notation): C₁₅H₁₂N₂O₂
• CAS Number: 57-41-0
• Molecular Weight: 252.27
• MDL number: MFCD00005264
• UNSPSC Code: 12352115
• EC Index Number: 200-328-6
• NACRES: NA.22

Properties

• Quality Level: 200
• assay: ≥98.0% (acidimetric)
• form: powder
• autoignition temp.: 550 °C
• potency: 1635 mg/kg LD₅₀, oral (Rat)
• mp: 292-295 °C
• bulk density: 400‑450 kg/m³
• storage temp.: 2-30°C
• SMILES string: [N+H2]1C(C(=NC1=O)[O-])(c3ccccc3)c2ccccc2
• InChI: 1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
• InChI key: CXOFVDLJLONNDW-UHFFFAOYSA-N

Description

Analysis Note

Assay (acidimetric): ≥ 98.0 %
Melting range (lower value): ≥ 292 °C
Melting range (upper value): ≤ 295 °C
Identity (IR): passes test

Safety Information

• pictograms: GHS07,GHS08
• signalword: Danger
• hcodes: H302 - H351 - H360FD
• pcodes: P201 - P202 - P264 - P270 - P301 + P312 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Oral - Carc. 2 - Repr. 1B
• Storage Class: 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3