2-Pyrrolidinone,1-(2-bromoethyl)- supplier

Name
1-(2-bromoethyl)pyrrolidin-2-one
EINECS
CAS No. 117018-99-2
Article Data4
CAS DataBase
Density 1.511 g/cm³
Solubility
Melting Point
Formula C₆H₁₀BrNO
Boiling Point 278.6 °C at 760 mmHg
Molecular Weight 192.055
Flash Point 122.3 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols
Synonyms 1-(2-Bromoethyl)pyrrolidin-2-one;
PSA 20.31000
LogP 0.94160

2-Pyrrolidinone,1-(2-bromoethyl)- 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

Product Name

1-(2-bromoethyl)pyrrolidin-2-one

2-Pyrrolidinone,1-(2-bromoethyl)- Specification

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