식별자 및 물리적 특성
| CAS No. | 14000-31-8 |
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| 분자식 | H4O7P2 |
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| 평균 분자량 | 177.98 g/mol |
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| 단동위원소 질량 | 177.94322646 g/mol |
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| SMILES | O=P(O)(O)OP(=O)(O)O |
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| InChIKey | XPPKVPWEQAFLFU-UHFFFAOYSA-N |
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| PubChem CID | 1023 |
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| ChEMBL | CHEMBL1160571 |
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| ChEBI | CHEBI:29888 |
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| EC No. | 219-574-0 |
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| DTXSID | DTXSID4075035 |
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| 현지명 | 이인산염 |
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화학 및 물리적 성질
| XLogP | -3.2 |
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| 극성 표면적 | 124 |
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| 수소 결합 공여자 수 | 4 |
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| 수소 결합 수용자 수 | 7 |
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| 회전 가능 결합 수 | 2 |
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| 무거운 원자 수 | 9 |
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| 형식 전하 | 0 |
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| 복잡도 | 147 |
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| 녹는점 | 6161 °C |
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| Physical Description | Hygroscopic solid[Merck Index] Light yellow hygroscopic solid[Acros Organics MSDS] |
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| Collision Cross Section | 145.58 Ų [M+Na]+ [CCS Type: DTMethod: stepped-field]144.7 Ų [M+Na]+ |
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| EPA | Diphosphate (14000-31-8) |
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안전 및 규제
| GHS 분류 | DangerH302 (63.9%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (31.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 119 reports by companies from 3 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. |
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| 규제 정보 | Chemical: Diphosphoric acidDiphosphoric acid: Does not have an individual approval but may be used under an appropriate group standard |
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| 기타 안전 정보 | IMAP assessments - Polyphosphoric acids: Human health tier II assessment |
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| 유해성 요약 | Causes somnolence, ataxia, and dyspnea in oral lethal-dose studies of rats[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Acros Organics MSDS] |
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| Hazard Classes and Categories | Acute Tox. 4 (63.9%)Skin Corr. 1B (100%)Eye Dam. 1 (31.1%)Acute toxicity - category 4Skin corrosion - category 1 |
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| 유해 작용 | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
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| 신호 어 | Warning |
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| 유해·위험 문구 | 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315 |
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