시아노인산디에틸에스테르
시아노인산디에틸에스테르 · 다이에틸 사이아노포스포네이트 · DEPC · DIETHYL PHOSPHOROCYANIDATE · DIETHYL CYANOPHOSPHATE · DIETHYLPHOSPHORYL CYANIDE · (ETO)2P(O)CN · Diethypyrocarbonate
식별자 및 물리적 특성
| CAS No. | 2942-58-7 |
|---|---|
| 분자식 | C5H10NO3P |
| 평균 분자량 | 163.11 g/mol |
| 단동위원소 질량 | 163.03982981 g/mol |
| SMILES | CCOP(=O)(C#N)OCC |
| InChIKey | ZWWWLCMDTZFSOO-UHFFFAOYSA-N |
| PubChem CID | 76257 |
| EC No. | 220-936-5 |
| DTXSID | DTXSID90183639 |
| 현지명 | 시아노인산디에틸에스테르 |
화학 및 물리적 성질
| XLogP | 0.3 |
|---|---|
| 극성 표면적 | 59.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 173 |
| 물질 분류 | Other Uses -> Biochemical Research |
| Physical Description | Yellow liquid[Alfa Aesar MSDS] |
| 끓는 점 | 104-105 °C19 mm Hg(lit.) |
| 밀도 | 1.075 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.403(lit.) |
| 인화점 | 177 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨) |
| 물리적 상태 | 액체 |
| 비중 | 1.075 |
| 색상 | 무색~황색으로 투명함 |
| 용해도 | 물에서 분해되다 |
| BRN | 1768938 |
| 안정성 | 수분에 민감한 |
| InChI | 1S/C5H10NO3P/c1-3-8-10(7,5-6)9-4-2/h3-4H2,1-2H3 |
| InChIKey | ZWWWLCMDTZFSOO-UHFFFAOYSA-N |
| SMILES | CCOP(=O)(OCC)C#N |
| NIST | Diethyl cyanophosphonate(2942-58-7) |
화학적 성질
Diethyl cyanophosphonate is a clear colourless to yellow liquid. It soluble in most common organic solvents , such as dimethylformamide , tetrahydrofuran , diethyl ether , and toluene. Diethyl cyanophosphonate is highly toxic and corrosive. lt must be handled in awell-ventilated fume hood. In addition, it is moisture sensitive and should bestored in a refrigerator under nitrogen.
안전 및 규제
| GHS 분류 | DangerH300+H310+H330 (75%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 유해성 요약 | Intraperitoneal LD50 (mouse) = 1.4 mg/kg[RTECS] Hydrolyzed by waterCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsHighly toxic by ingestion, inhalation, and skin absorption[Alfa Aesar MSDS] See Tabun. |
| Hazard Classes and Categories | Acute Tox. 2 (98.1%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | TD2500000 |
| 운송 번호(UN) | UN 2922 8/PG 2 |
| 관세 코드 | 29319090 |
| 위험 문구(R) | 34-32-26/27/28 |
| 위험 표시 | C,Xi,T+ |
| 안전 문구(S) | 26-36-45-50A-36/37/39-28A-36/37-28 |
| 포장분류 | II |
| 위험 등급 | 8Acute Tox. 2 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralEye Dam. 1Skin Corr. 1B |
| F 고인화성물질 | 10-13-21 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
용도
용도
Diethyl cyanophosphonate was used in the synthesis of 4-acylthiol-4-deoxy-4′-demethyl epipodophyllotoxin analogs. Coupling reagent for peptide synthesis. Reagent for the phosphorylation of phenols. Activating agent for fluorescent derivatization of carboxylic acids which allows separation by HPLC.
일반 설명
Diethyl cyanophosphonate (DCNP, a Tabun mimic, DECP) is a nerve agent simulant. Its detection by using fluorescein, a reversible fluorescent sensor, has been reported. Its degradation in the presence of suitable organocatalysts (different amines, aminoalcohols and glycols) has been studied.