Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
포스포노아세트산
포스포노아세트산 · Fosfonet · 2-phosphonoacetic acid · NSC-18205 · AURORA KA-1453 · phosphonaceticacid · Fosfonoacetic acid · phosphono-aceticaci
식별자 및 물리적 특성
| CAS No. | 4408-78-0 |
|---|---|
| 분자식 | C2H5O5P |
| 평균 분자량 | 140.03 g/mol |
| 단동위원소 질량 | 139.98746025 g/mol |
| SMILES | O=C(O)CP(=O)(O)O |
| InChIKey | XUYJLQHKOGNDPB-UHFFFAOYSA-N |
| PubChem CID | 546 |
| ChEMBL | CHEMBL136061 |
| ChEBI | CHEBI:15732 |
| EC No. | 224-558-1 |
| DTXSID | DTXSID2045107 |
| 현지명 | 포스포노아세트산 |
화학 및 물리적 성질
| XLogP | -2 |
|---|---|
| 극성 표면적 | 94.8 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 133 |
| 용해도 | 392000392 mg/mL at 0 °C물: 용해성 100mg/mL, 투명하거나 매우 약간 흐릿함, 무색 |
| 녹는점 | 143-146 °C143 - 146 °C143-146 °C (lit.) |
| 증기압 | 0.00000067 [mmHg] |
| Physical Description | White crystalline powderOdorless and hygroscopic[Alfa Aesar MSDS]Solid |
| Collision Cross Section | 134.5 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]134.4 Ų [M+Na]+ |
| 끓는 점 | 490.2±47.0 °C(Predicted) |
| 밀도 | 1.858±0.06 g/cm3(Predicted) |
| 굴절률 | 1.5180 (estimate) |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | 1.74±0.10(Predicted) |
| 물리적 상태 | Solid |
| 색상 | White to off-white |
| 용해도 | 물에 용해됩니다. |
| BRN | 1764355 |
| InChI | InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7) |
| InChIKey | XUYJLQHKOGNDPB-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CP(O)(O)=O |
화학적 성질
White powder
안전 및 규제
| GHS 분류 | DangerH302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (11.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 유해성 요약 | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (88.6%)Skin Corr. 1B (11.4%) |
| Protective Action Criteria (PAC) | 1.2 [mg/m3]13 [mg/m3]79 [mg/m3] |
| 유해 작용 | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | AJ3278000 |
| 운송 번호(UN) | UN3261 |
| 관세 코드 | 29319019 |
| 위험 문구(R) | 22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-36/37/39 |
| 포장분류 | III |
| 위험 등급 | 8 |
| 저장 분류 |
용도
용도
Phosphonoacetic acid inhibits deoxyribo nucleic acid polymerase, especially in viruses. It is used as an antiviral agent. Further, it is used in the preparation of 1-(dimethylamino)-2,2-bis[(dimethylimmonio)-methyl]ethene diperchlorate by reacting with phosphorus oxychloride.