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Name |
Urea,N'-(2,5-dichlorophenyl)-N,N-dimethyl- |
EINECS | 239-453-6 |
CAS No. | 15441-87-9 | Density | 1.369 g/cm3 |
PSA | 32.34000 | LogP | 3.15990 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H10Cl2N2O | Boiling Point | 375 °C at 760 mmHg |
Molecular Weight | 233.097 | Flash Point | 180.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(2,5-Dichlorophenyl)-3,3-dimethylurea; |
The Urea,N'-(2,5-dichlorophenyl)-N,N-dimethyl-, with the CAS registry number of 15441-87-9, is also known as 1-(2,5-Dichlorophenyl)-3,3-dimethylurea. Its EINECS registry number is 239-453-6. Its molecular formula is C9H10Cl2N2O and molecular weight is 233.0945. What's more, its IUPAC name is 3-(2,5-Dichlorophenyl)-1,1-dimethylurea.
Physical properties about the Urea,N'-(2,5-dichlorophenyl)-N,N-dimethyl- are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 42.09; (6)ACD/BCF (pH 7.4): 42.09; (7)ACD/KOC (pH 5.5): 506.06; (8)ACD/KOC (pH 7.4): 506.03; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 58.66 cm3; (15)Molar Volume: 170.1 cm3; (16)Surface Tension: 48.1 dyne/cm; (17)Density: 1.369 g/cm3; (18)Flash Point: 180.6 °C; (19)Enthalpy of Vaporization: 62.25 kJ/mol; (20)Boiling Point: 375 °C at 760 mmHg; (21)Vapour Pressure: 8.01E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(Cl)cc1NC(=O)N(C)C
(2) InChI: InChI=1/C9H10Cl2N2O/c1-13(2)9(14)12-8-5-6(10)3-4-7(8)11/h3-5H,1-2H3,(H,12,14)
(3) InChIKey: DOVGZPJULHERQI-UHFFFAOYAJ