3-Chlorocarbonyl-1-methanesulfonyl-2-imidazolidinone

The 3-Chlorocarbonyl-1-methanesulfonyl-2-imidazolidinone is an organic compound with the formula C₅H₇ClN₂O₄S. The IUPAC name of this chemical is 3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride. With the CAS registry number 41762-76-9, it is also named as 1-imidazolidinecarbonyl chloride, 3-(methylsulfonyl)-2-oxo-. The product's categories are Halogenated Heterocycles; Heterocyclic Building Blocks; Imidazolines/Imidazolidines; Imidazolines/Imidazolidines Building Blocks. Besides, it should be stored in a closed cool and dry place. It is an important pharmaceutical intermediate.

Physical properties about 3-Chlorocarbonyl-1-methanesulfonyl-2-imidazolidinone are: (1)ACD/LogP: -1.79; (2)ACD/LogD (pH 5.5): -1.79; (3)ACD/LogD (pH 7.4): -1.79; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.54; (7)ACD/KOC (pH 7.4): 2.54; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 83.14 Å²; (11)Index of Refraction: 1.594; (12)Molar Refractivity: 44.79 cm³; (13)Molar Volume: 131.9 cm³; (14)Polarizability: 17.75×10^-24cm³; (15)Surface Tension: 70.3 dyne/cm; (16)Density: 1.71 g/cm³; (17)Flash Point: 164.2 °C; (18)Enthalpy of Vaporization: 59.22 kJ/mol; (19)Boiling Point: 347.9 °C at 760 mmHg; (20)Vapour Pressure: 5.21E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)N1C(=O)N(S(=O)(=O)C)CC1
(2)InChI: InChI=1/C5H7ClN2O4S/c1-13(11,12)8-3-2-7(4(6)9)5(8)10/h2-3H2,1H3
(3)InChIKey: ZWTPALHHEULAPI-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C5H7ClN2O4S/c1-13(11,12)8-3-2-7(4(6)9)5(8)10/h2-3H2,1H3
(5)Std. InChIKey: ZWTPALHHEULAPI-UHFFFAOYSA-N