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2-포스포노-1,2,4-부탄트리카복실산
2-포스포노-1,2,4-부탄트리카복실산 · 피비티씨 · 포스포노부탄트라이카복실릭애씨드 · 2-포스포노-1,2,4-부탄트리카복실산(2-PHOSPHONO-1,2,4-BUTANETRICARBOXYLIC... · 1,2,3-뷰테인트라이카복실산, 2-포스포노트라이뷰틸 · 1,2,4-부탄트라이카르복실산, 2-포스포노- · 1,2,4-뷰테인트라이카복실산, 2-포스포노- · 1,2,4-트라이카복시-sec-뷰틸포스폰산
식별자 및 물리적 특성
| CAS No. | 37971-36-1 |
|---|---|
| 분자식 | C7H11O9P |
| 평균 분자량 | 270.13 g/mol |
| 단동위원소 질량 | 270.01406892 g/mol |
| SMILES | O=C(O)CCC(CC(=O)O)(C(=O)O)P(=O)(O)O |
| InChIKey | SZHQPBJEOCHCKM-UHFFFAOYSA-N |
| PubChem CID | 61973 |
| EC No. | 253-733-5 |
| DTXSID | DTXSID4027999 |
| 현지명 | 2-포스포노-1,2,4-부탄트리카복실산 |
화학 및 물리적 성질
| XLogP | -2.8 |
|---|---|
| 극성 표면적 | 169 |
| 수소 결합 공여자 수 | 5 |
| 수소 결합 수용자 수 | 9 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 383 |
| 물질 분류 | Other Classes -> Organophosphates, Other |
| Physical Description | LiquidProduced as a solidAvailable as aqeous solution[eChemPortal: SIDSUNEP] Dark straw-colored liquid[MSDSonline] |
| 녹는점 | -15 °C |
| 끓는 점 | 545.2±60.0 °C(Predicted) |
| 밀도 | 1.25 (50% aq.) |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.579 |
| 용해도 | Completely miscible in water |
| 물리적 상태 | 투명한 액체 |
| pKa(산도 계수) | 1.14±0.10(Predicted) |
| 색상 | 무색~연황색 |
| 용해도 | 909g/L at 20℃ |
| 화장품 원료 기능 | 버퍼링부식 방지킬레이팅 |
| InChI | InChI=1S/C7H11O9P/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16) |
| InChIKey | SZHQPBJEOCHCKM-UHFFFAOYSA-N |
| SMILES | C(C(O)=O)C(P(O)(O)=O)(C(O)=O)CCC(O)=O |
| LogP(분배 계수) | -1.66 at 25℃ |
| EPA | 2-Phosphono-1,2,4-butanetricarboxylic acid (37971-36-1) |
화학적 성질
2-Phosphonobutane-1,2,4-tricarboxylic acid (PBTC)is colorless or light yellow transparent liquid. Relative density (20°C) 1.275. Freezing point -15°C. Has excellent scale and corrosion inhibition properties. Acid resistance, alkali resistance, oxidant resistance. When pH>14, it still does not hydrolyze, and the thermal stability is good.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 2.7% (7 of 261) of reports.DangerH290 (46.4%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P390, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 261 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 1,2,4-Butanetricarboxylic acid, 2-phosphono-1,2,4-Butanetricarboxylic acid, 2-phosphono- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,4-Butanetricarboxylic acid, 2-phosphono- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: 2-phosphonobutane-1,2,4-tricarboxylic acid (EC: 253-733-5)1,2,4-Butanetricarboxylic acid, 2-phosphono-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Corrosive to skin and eyes[eChemPortal: ERMA] An eye irritant[MSDSonline] The commercial product is a solution that is not irritating to the skin or eyes. [AIHA] |
| Hazard Classes and Categories | Met. Corr. 1 (46.4%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3265 |
| 관세 코드 | 2931.90.9051 |
| 위험 문구(R) | 34 |
| 위험 표시 | XiXn,Xn,Xi |
| 안전 문구(S) | 26-45 |
| 포장분류 | III |
| 위험 등급 | 8 |