CAS No.6843-49-8,5-METHYL-5-PHENYLHYDANTOIN Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6843-49-8
Name:	5-METHYL-5-PHENYLHYDANTOIN
Article Data:	26

Formula:	C₁₀H₁₀N₂O₂
Molecular Weight:	190.202
Synonyms:	Hydantoin,5-methyl-5-phenyl- (6CI,7CI,8CI);(?à)-5-Methyl-5-phenylhydantoin;5-Methyl-5-phenylhydantoin;5-Methyl-5-phenylimidazolidine-2,4-dione;NSC 14839;
EINECS:	229-928-6
Density:	1.216 g/cm³
Melting Point:	199-201 °C(lit.)
Boiling Point:	325.7°C (rough estimate)
Flash Point:	9℃
Appearance:	White crystalline powder
Hazard Symbols:	Xn
Risk Codes:	22-36
Safety:	24/25
PSA:	58.20000
LogP:	1.39880

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Specification

The CAS register number of 2,4-Imidazolidinedione,5-methyl-5-phenyl- is 6843-49-8. It also can be called as 5-Methyl-5-phenylhydantoin and the systematic name about this chemical is 5-methyl-5-phenylimidazolidine-2,4-dione. The molecular formula about this chemical is C₁₀H₁₀N₂O₂ and the molecular weight is 190.2. It belongs to the following product categories which include Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Imidazolines/Imidazolidines and so on.

Physical properties about 2,4-Imidazolidinedione,5-methyl-5-phenyl- are: (1)ACD/LogP: 1.00; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 0.99; (4)ACD/BCF (pH 5.5): 3.38; (5)ACD/BCF (pH 7.4): 3.31; (6)ACD/KOC (pH 5.5): 83.25; (7)ACD/KOC (pH 7.4): 81.51; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 40.62 Å²; (12)Index of Refraction: 1.55; (13)Molar Refractivity: 49.85 cm³; (14)Molar Volume: 156.3 cm³; (15)Polarizability: 19.76x10^-24cm³; (16)Surface Tension: 41.7 dyne/cm; (17)Density: 1.216 g/cm³.

Uses of 2,4-Imidazolidinedione,5-methyl-5-phenyl-: it can be used to produce -(1-amino-1-phenyl-ethyl)-5,5-dimethyl-5H-imidazol-4-yl]-dimethyl-amine with (3,3-dimethyl-3H-azirin-2-yl)-dimethyl-amine. This reaction will need reagent of acetonitrile. This reaction needs heating. The reaction time is 24 hours. The yield is about 71.5%.

When you are using this chemical, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2NC(=O)NC2(c1ccccc1)C
(2)InChI: InChI=1/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)
(3)InChIKey: JNGWGQUYLVSFND-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)
(5)Std. InChIKey: JNGWGQUYLVSFND-UHFFFAOYSA-N

The toxicity data are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	subcutaneous	560mg/kg (560mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 723, 1954.
rat	LDLo	intraperitoneal	500mg/kg (500mg/kg)		Biochemical Pharmacology. Vol. 5, Pg. 108, 1960.