HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Piperazinecarboxaldehyde
piperazine-1-carbaldehyde · 1-FORMYLPIPERAZINE · 1-PIPERAZINECARBOXALDEHYDE · 1-Formylpiperazin · Formylpiperazine · N-FORMYLPIPERAZINE · N-FORMY PIPERAZINE · 1-Formylpiperazine>LABOTEST-BB LT00233197
Identifiers & Physical Properties
| CAS No. | 7755-92-2 |
|---|---|
| Molecular formula | C5H10N2O |
| Average molar mass | 114.15 g/mol |
| Monoisotopic mass | 114.07931294 g/mol |
| SMILES | O=CN1CCNCC1 |
| InChIKey | MSSDTZLYNMFTKN-UHFFFAOYSA-N |
| PubChem CID | 82191 |
| ChEBI | CHEBI:151031 |
| EC No. | 231-813-0 |
| DTXSID | DTXSID1064790 |
Chemical & Physical Properties
| XLogP | -0.9 |
|---|---|
| Topological polar surface area | 32.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 78.5 |
| Melting point | 88-91 |
| Boiling point | 264-266 °C |
| Density | 1.107 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.512 |
| Flash point | 215 °F |
| Storage conditions | 2-8°C |
| Physical state | Liquid |
| pKa (acidity coefficient) | 8.58±0.10(Predicted) |
| Specific gravity | 1.107 |
| Color | Clear colorless to yellow |
| Sensitivity | Air Sensitive |
| BRN | 110295 |
| InChI | 1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2 |
| InChIKey | MSSDTZLYNMFTKN-UHFFFAOYSA-N |
| SMILES | [H]C(=O)N1CCNCC1 |
| CAS DataBase Reference | 7755-92-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Piperazinecarboxaldehyde(7755-92-2) |
| EPA Substance Registry System | 1-Piperazinecarboxaldehyde (7755-92-2) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302-H315-H318-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xn,Xi |
| Risk statements (R) | 22-37/38-41-36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 2 |
| TSCA inventory status | TSCA listed |
| Customs code | 29335990 |
| Storage class | 10 - Combustible liquids |
| Hazard class | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.DangerH302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (87.5%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 2 |
| TSCA inventory status | TSCA listed |
| Customs code | 29335990 |
| Risk statements (R) | 22-37/38-41-36/37/38 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | Xn,Xi |
| Safety statements (S) | 26-36 |
| Storage class | 10 - Combustible liquids |
| Target organs | Respiratory system |
| GHS hazard statements | H302-H315-H318-H335 |
| Hazard class | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
Applications & Uses
Uses
1-Formylpiperazine is sutable for use as a test compound in the kinetic study of the reaction of 4-nitrophenyl 2-thiophenecarboxylate with secondary alicyclic amines.
General Description
1-Formylpiperazine, a secondary alicyclic amine is a piperazine derivative. Its synthesis has been reported. The kinetics of its reaction with O-aryl S-aryl dithiocarbonates has been studied. The IR and Raman spectra of 1-formylpiperazine have been investigated.