-
Name
3-(3,5-Dichlorophenyl)-1-methylhydantoin
- EINECS
- CAS No. 27387-90-2
- Article Data5
- CAS DataBase
- Density 1.507 g/cm3
- Solubility
- Melting Point 202-203.5 °C(Solv: ethanol (64-17-5))
- Formula C10H8Cl2N2O2
- Boiling Point 377.293 °C at 760 mmHg
- Molecular Weight 259.092
- Flash Point 181.98 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Hydantoin,3-(3,5-dichlorophenyl)-1-methyl- (8CI);3-(3,5-Dichlorophenyl)-1-methyl-2,4-imidazolidinedione;
- PSA 40.62000
- LogP 2.39470
3-(3,5-Dichlorophenyl)-1-methylhydantoin Specification
The IUPAC name of 3-(3,5-Dichlorophenyl)-1-methylhydantoin is 3-(3,5-dichlorophenyl)-1-methylimidazolidine-2,4-dione. With the CAS registry number 27387-90-2, it is also named as 2,4-Imidazolidinedione,3-(3,5-dichlorophenyl)-1-methyl-. In addition, its molecular formula is C10H8Cl2N2O2 and molecular weight is 259.09.
The other characteristics of 3-(3,5-Dichlorophenyl)-1-methylhydantoin can be summarized as: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 40.62 Å2; (7)Index of Refraction: 1.617; (8)Molar Refractivity: 60.171 cm3; (9)Molar Volume: 171.914 cm3; (10)Polarizability: 23.854×10-24cm3; (11)Surface Tension: 56.653 dyne/cm; (12)Density: 1.507 g/cm3; (13)Flash Point: 181.98 °C; (14)Enthalpy of Vaporization: 62.504 kJ/mol; (15)Boiling Point: 377.293 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1cc(Cl)cc(c1)N2C(=O)CN(C2=O)C
(2)InChI: InChI=1/C10H8Cl2N2O2/c1-13-5-9(15)14(10(13)16)8-3-6(11)2-7(12)4-8/h2-4H,5H2,1H3
(3)InChIKey: JFMOAIVHTYQOKA-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H8Cl2N2O2/c1-13-5-9(15)14(10(13)16)8-3-6(11)2-7(12)4-8/h2-4H,5H2,1H3
(5)Std. InChIKey: JFMOAIVHTYQOKA-UHFFFAOYSA-N
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