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86-35-1

Basic Information
CAS No.: 86-35-1
Name: ETHOTOIN (200 MG)
Article Data: 4
Molecular Structure:
Molecular Structure of 86-35-1 (ETHOTOIN (200 MG))
Formula: C11H12 N2 O2
Molecular Weight: 204.228
Synonyms: Hydantoin,3-ethyl-5-phenyl- (6CI,7CI,8CI); (?à)-Ethotoin; 1-Ethyl-2,5-dioxo-4-phenylimidazolidine; 3-Ethyl-5-phenyl-2,4-imidazolidinedione;3-Ethyl-5-phenylhydantoin; 3-Ethyl-5-phenylimidazolidin-2,4-dione; AC-695;Accenon; Ethotoin; Peganone
EINECS: 201-665-1
Density: 1.197 g/cm1.197 g/cm3
Melting Point: 94°C
Boiling Point: 342.72°C (rough estimate)
Risk Codes: 22
Safety: Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. Experimental teratogenic effects. When heated to decomposition it emits toxic fumes of NOx.
PSA: 52.90000
LogP: 0.87730
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Chemistry

IUPAC Name: 3-ethyl-5-phenylimidazolidine-2,4-dione
Synonyms of 3-Ethyl-5-phenylhydantoin (CAS NO.86-35-1): (+-)-3-Ethyl-5-phenylhydantoin ; 1-Ethyl-2,5-dioxo-4-phenylimidazolidine ; 2,4-Imidazolidinedione, 3-ethyl-5-phenyl-, (+-)- ; 3-Ethyl-5-phenylimidazolidin-2,4-dione ; 5-24-08-00005 (Beilstein Handbook Reference) ; BRN 0188272 ; EINECS 201-665-1 ; Ethotoin ; Ethotoine ; Ethotoine [INN-French] ; Ethotoinum ; Ethotoinum [INN-Latin] ; Etotoina ; Etotoina [INN-Spanish] ; HSDB 3580 ; Peganone ; UNII-46QG38NC4U
CAS NO: 86-35-1
Molecular Formula of 3-Ethyl-5-phenylhydantoin (CAS NO.86-35-1): C11H12N2O2
Molecular Weight: 204.2252
Molecular Structure:

H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 40.62 Å2
Index of Refraction: 1.555
Molar Refractivity: 54.78 cm3
Molar Volume: 170.5 cm3
Surface Tension: 43.2 dyne/cm
Density of 3-Ethyl-5-phenylhydantoin (CAS NO.86-35-1): 1.197 g/cm3 
Melting point: 94°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 923mg/kg (923mg/kg)   Drugs in Japan Vol. 6, Pg. 117, 1982.
mouse LD50 oral 1750mg/kg (1750mg/kg)   Drugs in Japan Vol. 6, Pg. 117, 1982.
mouse LD50 subcutaneous 1060mg/kg (1060mg/kg)   Drugs in Japan Vol. 6, Pg. 117, 1982.
rat LD50 intraperitoneal 625mg/kg (625mg/kg)   Drugs in Japan Vol. 6, Pg. 117, 1982.
rat LD50 oral 1500mg/kg (1500mg/kg)   Drugs in Japan Vol. 6, Pg. 117, 1982.
rat LD50 subcutaneous 1gm/kg (1000mg/kg)   Drugs in Japan Vol. 6, Pg. 117, 1982.

Safety Profile

Risk Statements: 22 
R22: Harmful if swallowed.
Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. Experimental teratogenic effects. When heated to decomposition it emits toxic fumes of NOx.