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Cas Database |
| Name |
4-(1-Acetylpiperazin-4-yl)phenol |
EINECS | 267-744-8 |
| CAS No. | 67914-60-7 | Density | 1.207 g/cm3 |
| PSA | 43.78000 | LogP | 1.06360 |
| Solubility | 4.3 g/L (20 °C) in water | Melting Point |
180-185 °C(lit.) |
| Formula | C12H16N2O2 | Boiling Point | 456.5 °C at 760 mmHg |
| Molecular Weight | 220.271 | Flash Point | 229.9 °C |
| Transport Information | N/A | Appearance | Off-white solid |
| Safety | 26-36-36/37/39-22 | Risk Codes | 36/37/38-22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi
|
| Synonyms |
Piperazine,1-acetyl-4-(4-hydroxyphenyl)- (9CI);1-Acetyl-4-(p-hydroxyphenyl)piperazine;1-[4-(4-Hydroxyphenyl)piperazin-1-yl]ethanone;4-(4-Acetylpiperazin-1-yl)phenol;4-(4-Acetylpiperazino)phenol;T 1141;Ethanone,1-[4-(4-hydroxyphenyl)-1-piperazinyl]-;1-Acetyl-4-(4-hydroxyphenyl)piperazine; |
Article Data | 10 |
4-(1-Acetylpiperazin-4-yl)phenol Chemical Properties
Molecular Structure of 1-Acetyl-4-(4-hydroxyphenyl)piperazine (CAS NO.67914-60-7):
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IUPAC Name: 1-[4-(4-Hydroxyphenyl)piperazin-1-yl]ethanone
Canonical SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)O
InChI: InChI=1S/C12H16N2O2/c1-10(15)13-6-8-14(9-7-13)11-2-4-12(16)5-3-11/h2-5,16H,6-9H2,1H3
InChIKey: AGVNLFCRZULMKK-UHFFFAOYSA-N
Molecular Weight: 220.26764 [g/mol]
Molecular Formula: C12H16N2O2
XLogP3-AA: 1
H-Bond Donor: 1
H-Bond Acceptor: 3
EINECS: 267-744-8
Appearance: Off-White Solid
Index of Refraction: 1.584
Molar Refractivity: 61.11 cm3
Molar Volume: 182.4 cm3
Surface Tension: 51 dyne/cm
Density: 1.207 g/cm3
Flash Point: 229.9 °C
Enthalpy of Vaporization: 74.4 kJ/mol
Boiling Point: 456.5 °C at 760 mmHg
Vapour Pressure: 5.91E-09 mmHg at 25 °C
Melting Point: 180-185 °C(lit.)
Water Solubility: 4.3 g/L (20 °C)
Product Categories: Chemical intermediate for Ketoconazole; Piperidines, Piperidones, Piperazines; Piperaizine; Miscellaneous; Chemical Amines; Amines; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals; Building Blocks; Heterocyclic Building Blocks; Piperazines
4-(1-Acetylpiperazin-4-yl)phenol Uses
1-Acetyl-4-(4-hydroxyphenyl)piperazine (CAS NO.67914-60-7) is the intermediate ketoconazole and can be used for drug ketoconazole, itraconazole Synthesis.
4-(1-Acetylpiperazin-4-yl)phenol Safety Profile
Safety Information of 1-Acetyl-4-(4-hydroxyphenyl)piperazine (CAS NO.67914-60-7):
Hazard Codes: Xi.gif){kind=small}
,Xn.gif){kind=small}
Risk Statements: 36/37/38-22
22: Harmful if swallowed
36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-36/37/39-22
22: Do not breathe dust
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
4-(1-Acetylpiperazin-4-yl)phenol Specification
1-Acetyl-4-(4-hydroxyphenyl)piperazine (CAS NO.67914-60-7), its Synonyms are Ethanone,1-[4-(4-hydroxyphenyl)-1-piperazinyl]- ; Piperazine,1-acetyl-4-(4-hydroxyphenyl)- (9CI) ; 1-Acetyl-4-(p-hydroxyphenyl)piperazine ; 1-[4-(4-Hydroxyphenyl)piperazin-1-yl]ethanone ; 4-(4-Acetylpiperazin-1-yl)phenol ; 4-(4-Acetylpiperazino)phenol ; T 1141 .
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