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Basic Information
CAS No.: 136350-52-2
Name: 1-(4-Bromophenylsulfonyl)pyrrolidine
Molecular Structure:
Molecular Structure of 136350-52-2 (1-(4-Bromophenylsulfonyl)pyrrolidine)
Formula: C10H12BrNO2S
Molecular Weight: 290.18
Synonyms: 1-(4-Bromobenzenesulfonyl)pyrrolidine;1-[(4-Bromophenyl)sulfonyl]pyrrolidine;
Density: 1.583 g/cm3
Melting Point: 80-84 °C
Boiling Point: 383.1 °C at 760 mmHg
Flash Point: 185.5 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
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PSA: 45.76000
LogP: 3.25230
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    CAS: 136350-52-2 MF: C10H12BrNO2S MW: 290.18

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Specification

The 1-(4-Bromophenylsulfonyl)pyrrolidine, with the CAS registry number 136350-52-2, is also known as Pyrrolidine, 1-[(4-bromophenyl)sulfonyl]-. It belongs to the product category of Blocks; Bromides; Heterocycles; Sulfonamides. This chemical's molecular formula is C10H12BrNO2S and molecular weight is 290.17678. Its IUPAC name is called 1-(4-bromophenyl)sulfonylpyrrolidine. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 1-(4-Bromophenylsulfonyl)pyrrolidine: (1)ACD/LogP: 2.82; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.611; (5)Molar Refractivity: 63.65 cm3; (6)Molar Volume: 183.2 cm3; (7)Surface Tension: 51.7 dyne/cm; (8)Density: 1.583 g/cm3; (9)Flash Point: 185.5 °C; (10)Enthalpy of Vaporization: 63.16 kJ/mol; (11)Boiling Point: 383.1 °C at 760 mmHg; (12)Vapour Pressure: 4.49E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br
(2)InChI: InChI=1S/C10H12BrNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h3-6H,1-2,7-8H2
(3)InChIKey: JMOJWOSNSJXQMT-UHFFFAOYSA-N