Aminotrimethylene phosphonic acid
ATMP · AMINO TRIMETHYLENE PHOSPHONIC ACID (ATMP) · ATMPA · ntpo · Dequest 2000 · NitriL · TRIS(PHOSPHONOMETHYL)AMINE · NITRILOTRIMETHANEPHOSPHONIC ACID
Identifiers & Physical Properties
| CAS No. | 20592-85-2 |
|---|---|
| Molecular formula | C3H12NO9P3 |
| Average molar mass | 299.05 g/mol |
| Monoisotopic mass | 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 |
Chemical & Physical Properties
| XLogP | -7.2 |
|---|---|
| Topological polar surface area | 176 |
| Hydrogen bond donors | 6 |
| Hydrogen bond acceptors | 10 |
| Rotatable bonds | 6 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 305 |
| Chemical classes | Other Classes -> Phosphate Compounds |
| Cosmetics | Chelating |
| SpringerMaterials Properties | Crystal structure |
| LogP (partition coefficient) | -3.53 |
| Density | 1.33 @ 20°C1.3 g/mL at 25 °C |
| Solubility | 1000 mg/mL at 25 °CWater (Slightly, Heated)500g/L at 20℃ |
| Boiling point | 105 °C @760 [mm Hg]746.2±70.0 °C(Predicted) |
| Melting point | 210 - 215 °C-14 °C~215 °C (dec.) |
| Vapor pressure | 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] |
| Storage conditions | Sealed in dry,Room Temperature |
| Physical state | Solid |
| pKa (acidity coefficient) | 0.56±0.10(Predicted) |
| Color | White |
| pH | 0.46 |
| BRN | 1715724 |
| Stability | Stable. Incompatible with bases, strong oxidizing agents. |
| Cosmetics Ingredients Functions | CHELATING |
| 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 (partition coefficient) | -3.5 |
| CAS DataBase Reference | 6419-19-8(CAS DataBase Reference) |
| FDA UNII | 1Y702GD0FG |
| EPA Substance Registry System | Aminotri(methylene phosphonic acid) (6419-19-8) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Warning |
| GHS hazard statements | H290 |
| GHS precautionary statements | P234-P390 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi,C |
| Risk statements (R) | 36-34-35 |
| Safety statements (S) | 26-45-36/37/39-25-44-36 |
| UN transport number | 3265 |
| Water hazard class (WGK) | 1 |
| RTECS number | SZ9860000 |
| F | 3-9 |
| TSCA inventory status | TSCA listed |
| Hazard class | 8Met. Corr. 1 |
| Packing group | III |
| Customs code | 29319090 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | 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. |
|---|---|
| Regulatory information | 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 |
| Other safety information | IMAP assessments - Phosphonic acid, [nitrilotris(methylene)]tris-: Human health tier I assessment |
| Hazards summary | 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 ClassifiedMet. Corr. 1 (48.4%) |
| Protective Action Criteria (PAC) | 30 [mg/m3]69 [mg/m3]420 [mg/m3] |
| F | 3-9 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 1 |
| TSCA inventory status | TSCA listed |
| RTECS number | SZ9860000 |
| UN transport number | 3265 |
| Customs code | 29319090 |
| Risk statements (R) | 36-34-35 |
| Signal word | Warning |
| GHS pictogram | GHS05 |
| Hazard symbols | Xi,C |
| Safety statements (S) | 26-45-36/37/39-25-44-36 |
| Hazard class | 8Met. Corr. 1 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | III |
| GHS hazard statements | H290 |
| REACH registrations | Active |
| GHS precautionary statements | P234-P390 |
Applications & Uses
Uses
It is used for power plants, refineries, petrochemicals, fertilizer plant cooling water, oil field injection water system,particularly suitable for hard high-calcium, low concentration multiple systems, such as power plants and high hardness high salinity, bad water quality conditions of the oil pipeline inhibitors,which may decrease the risk of corrosion and scaling of metal equipment and pipeline. In the textile printing and dyeing industry,Amino tris(methylene phosphonic acid) is used as a metal ion chelating agent, metal surface treatment agent. The above information is edited by the chemicalbook of Tian Ye.
Uses
A powerful complexing agent. A potent acid sphingomyelinase inhibitor.
Uses
Nitrilotri(methylphosphonic acid) is a common chelating agent used in synthetic chemistry. Some of the other applications include:Preparation of hexagonal porous three-dimensional structures encapsulating a template, layered structures with intercalated templates or linear polymers.Synthesis of metal-organic frameworks in combination with uranyl nitrate.Preparation of ingredient of anticorrosive protective coatings on the steel surface.ATMP can also be employed as a scale inhibitor during squeeze treatments in oilfield operations.
Uses
Nitrilotris(methylene)triphosphonic acid solution was used to study the mechanism of inhibition of cement hydration by phosphonic acid.
General Description
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.