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31282-95-8

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Basic Information
CAS No.: 31282-95-8
Name: 1-(CHLOROMETHYL)PYRROLIDIN-2-ONE
Article Data: 3
Molecular Structure:
Molecular Structure of 31282-95-8 (1-(CHLOROMETHYL)PYRROLIDIN-2-ONE)
Formula: C5H8ClNO
Molecular Weight: 133.578
Synonyms: 1-(Chloromethyl)-2-pyrrolidinone;Chloro(2-oxopyrrolidino)methane;N-(Chloromethyl)-2-pyrrolidinone;N-(Chloromethyl)-2-pyrrolidone;
Density: 1.228 g/cm3
Boiling Point: 253.4 °C at 760 mmHg
Flash Point: 107 °C
PSA: 20.31000
LogP: 0.74300
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Specification

The 2-Pyrrolidinone,1-(chloromethyl)- is an organic compound with the formula C5H8ClNO. The IUPAC name of this chemical is 1-(Chloromethyl)pyrrolidin-2-one.The CAS registry number of this chemical is 31282-95-8. Besides, its molecular weight is 133.5761.

The physical properties of 2-Pyrrolidinone,1-(chloromethyl)- are: (1)ACD/LogP: -0.17; (2)ACD/LogD (pH 5.5): -0.17; (3)ACD/LogD (pH 7.4): -0.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.36; (7)ACD/KOC (pH 7.4): 19.36; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 20.31 Å2; (11)Index of Refraction: 1.494; (12)Molar Refractivity: 31.68 cm3; (13)Molar Volume: 108.7 cm3; (14)Polarizability: 12.56×10-24 cm3; (15)Surface Tension: 38.6 dyne/cm; (16)Density: 1.228 g/cm3; (17)Flash Point: 107 °C; (18)Enthalpy of Vaporization: 49.08 kJ/mol; (19)Boiling Point: 253.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0183 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(CCl)CCC1
(2)InChI: InChI=1/C5H8ClNO/c6-4-7-3-1-2-5(7)8/h1-4H2
(3)InChIKey: KEBMRNXDMRFGNV-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C5H8ClNO/c6-4-7-3-1-2-5(7)8/h1-4H2
(5)Std. InChIKey: KEBMRNXDMRFGNV-UHFFFAOYSA-N