HuagongsheHuagongshe Chemistry Print Report · For research reference only
p-(1-Piperazinyl)phenol
4-PIPERAZINOPHENOL · RARECHEM AH CK 0119 · SALOR-INT L497754-1EA · LABOTEST-BB LT00233198 · 4-(1-PIPERAZINO)PHENOL · 4-(1-PIPERAZINYL)PHENOL · 4-PIPERAZIN-1-YL-PHENOL · p-(1-piperazinyl)phenol
Identifiers & Physical Properties
| CAS No. | 56621-48-8 |
|---|---|
| Molecular formula | C10H14N2O |
| Average molar mass | 178.23 g/mol |
| Monoisotopic mass | 178.11061307 g/mol |
| SMILES | Oc1ccc(N2CCNCC2)cc1 |
| InChIKey | GPEOAEVZTOQXLG-UHFFFAOYSA-N |
| PubChem CID | 92467 |
| EC No. | 260-289-6 |
| DTXSID | DTXSID80205197 |
Chemical & Physical Properties
| XLogP | 0.8 |
|---|---|
| Topological polar surface area | 35.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 149 |
| Melting point | 220 °C |
| Boiling point | 371.3±27.0 °C(Predicted) |
| Density | 1.141±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Physical state | Powder |
| pKa (acidity coefficient) | 12.18±0.30(Predicted) |
| Color | Brownish |
| BRN | 150964 |
| InChI | InChI=1S/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2 |
| InChIKey | GPEOAEVZTOQXLG-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(N2CCNCC2)C=C1 |
| LogP (partition coefficient) | 0.374 |
| CAS DataBase Reference | 56621-48-8(CAS DataBase Reference) |
| FDA UNII | A2SA24RA7S |
| UNSPSC Code | 12352100 |
| GHS pictogram | GHS07,GHS05,GHS06 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335-H301-H314-H318 |
| GHS precautionary statements | P261-P305+P351+P338-P260h-P301+P310a-P303+P361+P353-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| UN transport number | UN3263 |
| Water hazard class (WGK) | 3 |
| F | 10-34 |
| Hazard Note | Irritant |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Packing group | III |
| Customs code | 29335990 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 4.2% (2 of 48) of reports.DangerH314 (10.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Status: Active Update: 15-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21519 |
| Hazard Classes and Categories | Skin Corr. 1B (10.4%) |
| F | 10-34 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| UN transport number | UN3263 |
| Customs code | 29335990 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07,GHS05,GHS06 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 26-36 |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | III |
| GHS hazard statements | H315-H319-H335-H301-H314-H318 |
Applications & Uses
Uses
1-(4-Hydroxyphenyl)piperazine can be used as an intermediate for ketoconazole.