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CAS No.: | 38766-10-8 |
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Name: | N-CHLOROACETYLSUCCINIMIDE |
Molecular Structure: | |
Formula: | C6H6ClNO3 |
Molecular Weight: | 175.572 |
Synonyms: | N-(Chloroacetyl)succinimide;1-(2-Chloroethanoyl)pyrrolidine-2,5-dione;2,5-Pyrrolidinedione,1-(chloroacetyl)- (9CI);1-(Chloroacetyl)pyrrolidine-2,5-dione; |
Density: | 1.521 g/cm3 |
Boiling Point: | 278.9 °C at 760 mmHg |
Flash Point: | 122.5 °C |
PSA: | 54.45000 |
LogP: | -0.16130 |
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The 2,5-Pyrrolidinedione,1-(2-chloroacetyl)-, with the CAS registry number 38766-10-8, is also known as N-(Chloroacetyl)succinimide. This chemical's molecular formula is C6H6ClNO3 and molecular weight is 175.57. What's more, its systematic name is 1-(2-chloroacetyl)pyrrolidine-2,5-dione.
Physical properties of 2,5-Pyrrolidinedione,1-(2-chloroacetyl)- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.88; (5)ACD/KOC (pH 7.4): 1.88; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 54.45 Å2; (10)Index of Refraction: 1.542; (11)Molar Refractivity: 36.32 cm3; (12)Molar Volume: 115.4 cm3; (13)Polarizability: 14.4×10-24cm3; (14)Surface Tension: 60.1 dyne/cm; (15)Density: 1.521 g/cm3; (16)Flash Point: 122.5 °C; (17)Enthalpy of Vaporization: 51.75 kJ/mol; (18)Boiling Point: 278.9 °C at 760 mmHg; (19)Vapour Pressure: 0.00415 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(=O)N(C1=O)C(=O)CCl
(2)InChI: InChI=1S/C6H6ClNO3/c7-3-6(11)8-4(9)1-2-5(8)10/h1-3H2
(3)InChIKey: JXNOBCAJHPSWSV-UHFFFAOYSA-N