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CAS No.: | 41212-96-8 |
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Name: | 1-(2-chloroethyl)pyrrolidine-2,5-dione |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H8ClNO2 |
Molecular Weight: | 161.588 |
Synonyms: | 2-Succinimidoethylchloride;N-(2-Chloroethyl)succinimide;NSC 58200;1-(2-Chloroethyl)pyrrolidine-2,5-dione;2-Succinimidoethyl chloride; |
EINECS: | 255-266-2 |
Density: | 1.327 g/cm3 |
Boiling Point: | 310.1 °C at 760 mmHg |
Flash Point: | 141.4 °C |
PSA: | 37.38000 |
LogP: | 0.31210 |
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The 2,5-Pyrrolidinedione,1-(2-chloroethyl)-, with the CAS registry number 41212-96-8, is also known as 2-Succinimidoethylchloride. Its EINECS number is 255-266-2. This chemical's molecular formula is C6H8ClNO2 and molecular weight is 161.59. What's more, its systematic name is 1-(2-chloroethyl)pyrrolidine-2,5-dione.
Physical properties of 2,5-Pyrrolidinedione,1-(2-chloroethyl)- are: (1)ACD/LogP: -0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.35; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.34; (8)ACD/KOC (pH 7.4): 15.34; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 36.45 cm3; (15)Molar Volume: 121.7 cm3; (16)Polarizability: 14.45×10-24cm3; (17)Surface Tension: 45.5 dyne/cm; (18)Density: 1.327 g/cm3; (19)Flash Point: 141.4 °C; (20)Enthalpy of Vaporization: 55.09 kJ/mol; (21)Boiling Point: 310.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000612 mmHg at 25°C.
Uses of 2,5-Pyrrolidinedione,1-(2-chloroethyl)-: it can be used to produce 1-[2-(thiophen-2-ylsulfanyl)-ethyl]-pyrrolidine-2,5-dione by heating. It will need solvent tetrahydrofuran with the reaction time of 2 hours. The yield is about 52%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(=O)N(C1=O)CCCl
(2)InChI: InChI=1S/C6H8ClNO2/c7-3-4-8-5(9)1-2-6(8)10/h1-4H2
(3)InChIKey: QJZNIHHRDQKAFU-UHFFFAOYSA-N