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CAS No.: | 16017-53-1 |
---|---|
Name: | 1-(4-CHLORO-BENZENESULFONYL)-PIPERAZINE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C10H13ClN2O2S |
Molecular Weight: | 260.744 |
Synonyms: | Piperazine, 1-[(p-chlorophenyl)sulfonyl]- (8CI);1-[(4-Chlorophenyl)sulfonyl]piperazine;BUTTPARK 19\07-45;AKOS B003963;AKOS BBS-00003684;CHEMBRDG-BB 3003963;ART-CHEM-BB B003963; |
Density: | 1.352g/cm3 |
Boiling Point: | 401.7 °C at 760 mmHg |
Flash Point: | 196.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 57.79000 |
LogP: | 2.28140 |
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The Piperazine, 1-[(4-chlorophenyl)sulfonyl]-, with CAS registry number of 16017-53-1, is also known as BUTTPARK 19\07-45. Its IUPAC name is 1-(4-chlorophenyl)sulfonylpiperazine. Its molecular formula is C10H13ClN2O2S, and molecular weight is 260.7404.
Physical properties about this chemical are: (1) ACD/LogP: 1.96; (2) # of Rule of 5 Violations: 0; (3) # H bond acceptors: 4; (4) # H bond donors: 1; (5) # Freely Rotating Bonds: 2; (6) Polar Surface Area: 49 Å2; (7) Index of Refraction: 1.582; (8) Molar Refractivity: 64.41 cm3; (9) Molar Volume: 192.7 cm3; (10) Polarizability: 25.53×10-24 cm3; (11) Surface Tension: 47.4 dyne/cm; (12) Density: 1.352 g/cm3; (13) Flash Point: 196.7 °C; (14) Enthalpy of Vaporization: 65.28 kJ/mol; (15) Boiling Point: 401.7 °C at 760 mmHg; (16) Vapour Pressure: 1.16E-06 mmHg at 25 °C.
When you are using Piperazine, 1-[(4-chlorophenyl)sulfonyl]-, please be cautious about it as the following:
As a chemical, it is irritant, and may cause inflammation to the skin or other mucous membranes.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(Cl)cc1)N2CCNCC2
(2) InChI: InChI=1/C10H13ClN2O2S/c11-9-1-3-10(4-2-9)16(14,15)13-7-5-12-6-8-13/h1-4,12H,5-8H2
(3) InChIKey: CKVKEBVACPUEIB-UHFFFAOYAA