Products Categories
| CAS No.: | 4004-97-1 |
|---|---|
| Name: | 1-(4-fluorophenyl)-4-(p-tolylsulphonyl)piperazine |
| Article Data: | 1 |
| Molecular Structure: | |
|
|
|
| Formula: | C17H19FN2O2S |
| Molecular Weight: | 334.414 |
| Synonyms: | Piperazine,1-(p-fluorophenyl)-4-(p-tolylsulfonyl)- (7CI,8CI);1-(4-Fluorophenyl)-4-(p-tolylsulfonyl)piperazine;1-(4-fluorophenyl)-4-(p-tolylsulphonyl)piperazine; |
| EINECS: | 223-656-1 |
| Density: | 1.283 g/cm3 |
| Boiling Point: | 495.3 °C at 760 mmHg |
| Flash Point: | 253.4 °C |
| PSA: | 49.00000 |
| LogP: | 3.72870 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 43224-75-52,2,6,6-Tetramethyl-4-(2-propyleneoxy) Piperidine
- Total:4 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The Piperazine,1-(4-fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-, with the CAS registry number 4004-97-1, is also known as 1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine. Its EINECS number is 223-656-1. This chemical's molecular formula is C17H19FN2O2S and molecular weight is 334.41. What's more, its systematic name is 1-(4-fluorophenyl)-4-[(4-methylphenyl)sulfonyl]piperazine.
Physical properties of Piperazine,1-(4-fluorophenyl)-4-[(4-methylphenyl)sulfonyl]- are: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 129.3; (6)ACD/BCF (pH 7.4): 176.77; (7)ACD/KOC (pH 5.5): 1032.54; (8)ACD/KOC (pH 7.4): 1411.66; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 89.26 cm3; (15)Molar Volume: 260.5 cm3; (16)Polarizability: 35.38×10-24 cm3; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.283 g/cm3; (19)Flash Point: 253.4 °C; (20)Enthalpy of Vaporization: 76.29 kJ/mol; (21)Boiling Point: 495.3 °C at 760 mmHg; (22)Vapour Pressure: 5.96E-10 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-fluoro-aniline and N,N-bis-[2-(toluene-4-sulfonyloxy)-ethyl]-toluene-4-sulfonamide at the temperature of 130 °C. This reaction will need reagents NaHCO3, HMPA with the reaction time of 1 hour. The yield is about 58%.
![Piperazine,1-(4-fluorophenyl)-4-[(4-methylphenyl)sulfonyl]- can be prepared by 4-fluoro-aniline and N,N-bis-[2-(toluene-4-sulfonyloxy)-ethyl]-toluene-4-sulfonamide](/UserFilesUpload/Preparation of Piperazine,1-(4-fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-(1).jpg)
Uses of Piperazine,1-(4-fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-: it can be used to produce 1-(4-fluoro-phenyl)-piperazine by heating. It will need reagents 48percent aq. HBr, phenol with the reaction time of 30 min. The yield is about 66%.
-4-[(4-methylphenyl)sulfonyl]-.jpg)
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=S(=O)(N2CCN(c1ccc(F)cc1)CC2)c3ccc(cc3)C
(2)InChI: InChI=1/C17H19FN2O2S/c1-14-2-8-17(9-3-14)23(21,22)20-12-10-19(11-13-20)16-6-4-15(18)5-7-16/h2-9H,10-13H2,1H3
(3)InChIKey: CIGSCDLAXLXDQV-UHFFFAOYAW