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CAS No.: | 15145-38-7 |
---|---|
Name: | N-(4-BROMOPHENYL)-N'-(2-CHLOROETHYL)UREA |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H10BrClN2O |
Molecular Weight: | 277.548 |
Synonyms: | N-(4-Bromophenyl)-N'-(2-chloroethyl)urea; |
Density: | 1.582 g/cm3 |
Melting Point: | 172-174 °C |
Boiling Point: | 343.5 °C at 760 mmHg |
Flash Point: | 161.5 °C |
Hazard Symbols: | Xi |
PSA: | 41.13000 |
LogP: | 3.27330 |
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The 3-(4-Bromophenyl)-1-(2-chloroethyl)urea, with the CAS registry number 15145-38-7, is also known as N-(4-Bromophenyl)-N'-(2-chloroethyl)urea. This chemical's molecular formula is C9H10BrClN2O and molecular weight is 277.55. Its systematic name is called 1-(4-bromophenyl)-3-(2-chloroethyl)urea. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 3-(4-Bromophenyl)-1-(2-chloroethyl)urea: (1)ACD/LogP: 2.87; (2)ACD/LogD (pH 5.5): 2.87; (3)ACD/LogD (pH 7.4): 2.87; (4)ACD/BCF (pH 5.5): 90.01; (5)ACD/BCF (pH 7.4): 90; (6)ACD/KOC (pH 5.5): 871.95; (7)ACD/KOC (pH 7.4): 871.87; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 61.29 cm3; (13)Molar Volume: 175.4 cm3; (14)Surface Tension: 50.5 dyne/cm; (15)Density: 1.582 g/cm3; (16)Flash Point: 161.5 °C; (17)Enthalpy of Vaporization: 58.74 kJ/mol; (18)Boiling Point: 343.5 °C at 760 mmHg; (19)Vapour Pressure: 7.01E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(NC(=O)NCCCl)cc1
(2)InChI: InChI=1/C9H10BrClN2O/c10-7-1-3-8(4-2-7)13-9(14)12-6-5-11/h1-4H,5-6H2,(H2,12,13,14)
(3)InChIKey: WEBSBVNASIARDC-UHFFFAOYAZ