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ニトリロトリス(メチレンホスホン酸) (約50%水溶液, 約2.2mol/L)
ニトリロトリス(メチレンホスホン酸) (約50%水溶液, 約2.2mol/L) · トリ(ホスホノメチル)アミン · ニトリロトリスメチレントリホスホン酸 · トリス(ホスホノメチル)アミン · (ニトリロトリスメチレン)トリスホスホン酸 · [ニトリロトリス(メチレン)]トリス(ホスホン酸) · [ニトリロトリス(メチレン)]トリスホスホン酸 · ニトリロトリス(メチレン)トリホスホン酸
識別子と物理属性
| CAS No. | 20592-85-2 |
|---|---|
| 分子式 | C3H12NO9P3 |
| 平均分子量 | 299.05 g/mol |
| 単同位体質量 | 298.97249085 g/mol |
| SMILES | O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O |
| InChIKey | YDONNITUKPKTIG-UHFFFAOYSA-N |
| PubChem CID | 16698 |
| ChEMBL | CHEMBL260191 |
| ChEBI | CHEBI:168957 |
| EC No. | 229-146-5 |
| DTXSID | DTXSID2027624 |
| 現地名 | ニトリロトリス(メチレンホスホン酸) (約50%水溶液, 約2.2mol/L) |
化学・物理的性質
| XLogP | -7.2 |
|---|---|
| 極性表面積 | 176 |
| 水素結合供与体数 | 6 |
| 水素結合受容体数 | 10 |
| 回転可能結合数 | 6 |
| 重原子数 | 16 |
| 形式電荷 | 0 |
| 複雑度 | 305 |
| 物質分類 | Other Classes -> Phosphate Compounds |
| 化粧品 | Chelating |
| SpringerMaterials Properties | Crystal structure |
| LogP（分配係数） | -3.53 |
| 密度 | 1.33 @ 20°C1.3 g/mL at 25 °C |
| 溶解度 | 1000 mg/mL at 25 °C水（少し、加熱）500g/L at 20℃ |
| 沸点 | 105 °C @760 [mm Hg]746.2±70.0 °C(Predicted) |
| 融点 | 210 - 215 °C-14 °C~215 °C (dec.) |
| 蒸気圧 | 0.0000001 [mmHg]0Pa at 25℃ |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI) |
| Physical Description | LiquidCBIGlassy solid[CHEMINFO] Fine white crystals[MSDSonline] |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | 個体 |
| pKa（酸解離定数） | 0.56±0.10(Predicted) |
| 色 | 白い |
| pH | 0.46 |
| BRN | 1715724 |
| 安定性 | 安定。塩基、強力な酸化剤と相容れない。 |
| 化粧品成分の機能 | キレート化 |
| InChI | 1S/C3H12NO9P3/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13) |
| InChIKey | YDONNITUKPKTIG-UHFFFAOYSA-N |
| SMILES | OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O |
| LogP（分配係数） | -3.5 |
| CAS データベース | 6419-19-8(CAS DataBase Reference) |
| EPAの化学物質情報 | Aminotri(methylene phosphonic acid) (6419-19-8) |
化学的特性
colourless liquid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 8.2% (66 of 802) of reports.WarningH290 (48.4%): May be corrosive to metals [Warning Corrosive to Metals]P234, P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P390, and P406 (click each P-code to see the statement)Aggregated GHS information provided per 802 reports by companies from 29 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.This chemical does not meet GHS hazard criteria for 96.5% (305 of 316) of all reports. |
|---|---|
| 規制情報 | Chemical: Phosphonic acid, P,Pâ²,Pâ²â²-[nitrilotris(methylene)]tris-Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris-, sodium salt (1:?) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris-, sodium salt (1:?) 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)Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris- 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)Status: Active Update: 24-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15198Status: Active Update: 18-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14507Aminotri(methylenephosphonic acid): Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - Phosphonic acid, [nitrilotris(methylene)]tris-: Human health tier I assessment |
| 有害性の概要 | An eye irritant[MSDSonline] No adverse effects reported in workers except irritation in >20 years of use[AIHA] |
| EPA Safer Chemical | Chemical: Aminotrimethylene phosphonic acid |
| Hazard Classes and Categories | Not Classified |
用途
使用
A powerful complexing agent. A potent acid sphingomyelinase inhibitor.
一般的な説明
Nitrilotris(methylene)triphosphonic acid solution is an antiscalant and can be removed form membrane concentrates by iron-coated waste filtration sand. It is a cement retarder. It reacts with the aluminum surface to form a coating which is an effective inhibitor of the reaction of evaporated aluminum thin films on glass or silicon with deionized water.