1-Tosyl-3-pyrrolidinone supplier

Name
1-Tosyl-3-pyrrolidinone
EINECS
CAS No. 73696-28-3
Article Data7
CAS DataBase
Density 1.33 g/cm³
Solubility
Melting Point 118 °C
Formula C₁₁H₁₃NO₃S
Boiling Point 407 °C at 760 mmHg
Molecular Weight 239.29
Flash Point 199.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-[(4-Methylphenyl)sulfonyl]-3-pyrrolidinone;
PSA
LogP

1-Tosyl-3-pyrrolidinone Specification

The 1-Tosyl-3-pyrrolidinone, with the CAS registry number of 73696-28-3, is also known as 1-[(4-Methylphenyl)sulfonyl]-3-pyrrolidinone. This chemical's molecular formula is C₁₁H₁₃NO₃S and molecular weight is 239.29082. What's more, its systematic name is 1-[(4-Methylphenyl)sulfonyl]pyrrolidin-3-one.

Physical properties about the 1-Tosyl-3-pyrrolidinone are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 3.98; (6)ACD/BCF (pH 7.4): 3.98; (7)ACD/KOC (pH 5.5): 93.5; (8)ACD/KOC (pH 7.4): 93.5; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.83 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 60.67 cm³; (15)Molar Volume: 179.8 cm³; (16)Surface Tension: 52.4 dyne/cm; (17)Density: 1.33 g/cm³; (18)Flash Point: 199.9 °C; (19)Enthalpy of Vaporization: 65.88 kJ/mol; (20)Boiling Point: 407 °C at 760 mmHg; (21)Vapour Pressure: 7.8E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(cc1)C)N2CC(=O)CC2
(2) InChI: InChI=1/C11H13NO3S/c1-9-2-4-11(5-3-9)16(14,15)12-7-6-10(13)8-12/h2-5H,6-8H2,1H3
(3) InChIKey: BMJNDUPYCKAYAG-UHFFFAOYAK

Product Name

1-Tosyl-3-pyrrolidinone

1-Tosyl-3-pyrrolidinone Specification

Related Products

Hot Products