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117018-99-2

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Basic Information
CAS No.: 117018-99-2
Name: 1-(2-bromoethyl)pyrrolidin-2-one
Article Data: 4
Molecular Structure:
Molecular Structure of 117018-99-2 (1-(2-bromoethyl)pyrrolidin-2-one)
Formula: C6H10BrNO
Molecular Weight: 192.055
Synonyms: 1-(2-Bromoethyl)pyrrolidin-2-one;
Density: 1.511 g/cm3
Boiling Point: 278.6 °C at 760 mmHg
Flash Point: 122.3 °C
Risk Codes: 36
Safety: 26
PSA: 20.31000
LogP: 0.94160
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Specification

The 2-Pyrrolidinone, 1-(2-bromoethyl)-, with the CAS registry number of 117018-99-2, is also known as 1-(2-Bromoethyl)-2-pyrrolidinone. This chemical's molecular formula is C6H10BrNO and molecular weight is 192.0537. What's more, its systematic name is called 1-(2-Bromoethyl)pyrrolidin-2-one.

Physical properties about 2-Pyrrolidinone, 1-(2-bromoethyl)- are: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.58; (4)ACD/LogD (pH 7.4): 0.58; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 20.31 Å2; (9)Index of Refraction: 1.529; (10)Molar Refractivity: 39.2 cm3; (11)Molar Volume: 127 cm3; (12)Surface Tension: 42.8 dyne/cm; (13)Density: 1.511 g/cm3; (14)Flash Point: 122.3 °C; (15)Enthalpy of Vaporization: 51.72 kJ/mol; (16)Boiling Point: 278.6 °C at 760 mmHg; (17)Vapour Pressure: 0.00423 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C1CC(=O)N(C1)CCBr
(2) InChI: InChI=1/C6H10BrNO/c7-3-5-8-4-1-2-6(8)9/h1-5H2
(3) InChIKey: BVAQGSLQZNUFHQ-UHFFFAOYAG