-
Name
5,5-Diphenyl-1-phenylsulfonylhydantoin
- EINECS
- CAS No. 21413-28-5
- Article Data5
- CAS DataBase
- Density 1.387g/cm3
- Solubility 1.8mg/L(37 oC)
- Melting Point
- Formula C21H16 N2 O4 S
- Boiling Point °Cat760mmHg
- Molecular Weight 392.435
- Flash Point °C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx and NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Hydantoin,5,5-diphenyl-1-(phenylsulfonyl)- (8CI);1-Benzenesulfonyl-5,5-diphenylhydantoin; 1-Phenylsulfonyl-5,5-diphenylhydantoin;5,5-Diphenyl-1-(phenylsulfonyl)hydantoin; NSC 288019; PC-796
- PSA 91.93000
- LogP 4.21840
5,5-Diphenyl-1-phenylsulfonylhydantoin Chemical Properties
Molecule structure of 5,5-Diphenyl-1-phenylsulfonylhydantoin (CAS NO.21413-28-5):
IUPAC Name: 1-(Benzenesulfonyl)-5,5-diphenylimidazolidine-2,4-dione
Molecular Weight: 392.42774 g/mol
Molecular Formula: C21H16N2O4S
Density: 1.387 g/cm3
Index of Refraction: 1.661
Molar Refractivity: 104.61 cm3
Molar Volume: 282.8 cm3
Surface Tension: 58.6 dyne/cm
XLogP3-AA: 3.4
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Tautomer Count: 3
Exact Mass: 392.083078
MonoIsotopic Mass: 392.083078
Topological Polar Surface Area: 83.6
Heavy Atom Count: 28
Canonical SMILES: C1=CC=C(C=C1)C2(C(=O)NC(=O)N2S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H16N2O4S/c24-19-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)23(20(25)22-19)28(26,27)18-14-8-3-9-15-18/h1-15H,(H,22,24,25)
InChIKey: WMIAQXWVZFAYQL-UHFFFAOYSA-N
Classification Code: Drug / Therapeutic Agent
5,5-Diphenyl-1-phenylsulfonylhydantoin Toxicity Data With Reference
| 1. | orl-rat LD50:1700 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 20 (1970),1579. | ||
| 2. | ipr-rat LD50:695 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 20 (1970),1579. | ||
| 3. | orl-mus LD50:1700 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 20 (1970),1579. | ||
| 4. | ipr-mus LD50:1037 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 20 (1970),1579. |
5,5-Diphenyl-1-phenylsulfonylhydantoin Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx and NOx.
5,5-Diphenyl-1-phenylsulfonylhydantoin Specification
5,5-Diphenyl-1-phenylsulfonylhydantoin (CAS NO.21413-28-5) is also named as NSC 288019 ; PC-796 ; 2,4-Imidazolidinedione, 5,5-diphenyl-1-(phenylsulfonyl)- (9CI) ; Hydantoin, 5,5-diphenyl-1-(phenylsulfonyl)- .
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