Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-Piperazinecarboxaldehyde
piperazine-1-carbaldehyde · 1-FORMYLPIPERAZINE · 1-PIPERAZINECARBOXALDEHYDE · 1-Formylpiperazin · Formylpiperazine · N-FORMYLPIPERAZINE · N-FORMY PIPERAZINE · 1-Formylpiperazine>LABOTEST-BB LT00233197
식별자 및 물리적 특성
| CAS No. | 7755-92-2 |
|---|---|
| 분자식 | C5H10N2O |
| 평균 분자량 | 114.15 g/mol |
| 단동위원소 질량 | 114.07931294 g/mol |
| SMILES | O=CN1CCNCC1 |
| InChIKey | MSSDTZLYNMFTKN-UHFFFAOYSA-N |
| PubChem CID | 82191 |
| ChEBI | CHEBI:151031 |
| EC No. | 231-813-0 |
| DTXSID | DTXSID1064790 |
화학 및 물리적 성질
| XLogP | -0.9 |
|---|---|
| 극성 표면적 | 32.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 78.5 |
| 녹는점 | 88-91 |
| 끓는 점 | 264-266 °C |
| 밀도 | 1.107 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.512 |
| 인화점 | 215 °F |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 8.58±0.10(Predicted) |
| 비중 | 1.107 |
| 색상 | 무색~황색으로 투명함 |
| 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 |
| NIST | 1-Piperazinecarboxaldehyde(7755-92-2) |
| EPA | 1-Piperazinecarboxaldehyde (7755-92-2) |
화학적 성질
clear colorless to faintly yellow liquid
안전 및 규제
| GHS 분류 | 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%) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29335990 |
| 위험 문구(R) | 22-37/38-41-36/37/38 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
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.
일반 설명
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.