HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Titriplex I
NTA · TRIGLYCINE · NITRILOTRIACETATE · Nitrilotriacetic · 2,2',2''-Nitrilotriacetic acid · NTA acid · NITRILOACETIC ACID · TRILON A
Identifikatoren & physikalische Daten
| CAS No. | 139-13-9 |
|---|---|
| Summenformel | C6H9NO6 |
| Durchschnittliche Molmasse | 191,14 g/mol |
| Monoisotopische Masse | 191,04298701 g/mol |
| SMILES | O=C(O)CN(CC(=O)O)CC(=O)O |
| InChIKey | MGFYIUFZLHCRTH-UHFFFAOYSA-N |
| PubChem CID | 8758 |
| ChEMBL | CHEMBL1234848 |
| ChEBI | CHEBI:44557 |
| EC No. | 205-355-7 |
| DTXSID | DTXSID6020939 |
| Lokaler Name | Titriplex I |
Chemische & physikalische Eigenschaften
| XLogP | -3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 115 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 187 |
| Stoffklassen | Other Uses -> Chelating AgentsCarcinogens |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| pH | pH of saturated aqueous solution = 2.31.7-2.7 (23°C, 10g/L) |
| SpringerMaterials Properties | Sellmeier coefficient |
| LogP (Verteilungskoeffizient) | -3.8 |
| Dichte | greater than 1 at 68 °F (USCG, 1999)GREATER THAN 1 AT 20 °C /SOLID/1.5784 (rough estimate) |
| Color/Form | Prismatic crystals from hot waterWhite crystalline powder |
| Löslichkeit | less than 0.1 mg/mL at 73 °F (NTP, 1992)Slightly soluble in DMSO-d6soluble in ethanol1.28 g dissolves in 1 L water at 22.5 °CInsoluble in most org solventsIn water, 5.91X10+4 mg/L at 25 °CSolubility in water, g/100ml at 22 °C: 0.128 (poor)0.1 M NaOH: 0.1 M at 20 °C, clear, colorlessInsoluble. <0.01 g/100 mL at 23 ºC |
| Siedepunkt | Solid decomposes (NTP, 1992)326.86°C (rough estimate) |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/.242 °C |
| Schmelzpunkt | 475 °F (decomposes) (NTP, 1992)242 °C dec245 °C (dec.)(lit.) |
| Dampfdruck | 0.00000001 [mmHg]0-0Pa at 20-25℃ |
| Brechungsindex | 1.4860 (estimate) |
| Flammpunkt | 100 °C |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 3.03, 3.07, 10.70(at 20℃) |
| Farbe | White |
| Merck | 14,6579 |
| BRN | 1710776 |
| InChI | 1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13) |
| InChIKey | MGFYIUFZLHCRTH-UHFFFAOYSA-N |
| SMILES | OC(=O)CN(CC(O)=O)CC(O)=O |
| LogP (Verteilungskoeffizient) | -3.81 at 25℃ |
| CAS Datenbank | 139-13-9(CAS DataBase Reference) |
| NIST chemische Informationen | Nitrilotriacetic acid(139-13-9) |
| EPA chemische Informationen | Nitrilotriacetic acid (139-13-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 11.6% (58 of 500) of reports.WarningH302 (22.4%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 500 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Glycine, N,N-bis(carboxymethyl)-Hazard Traits - CarcinogenicityGlycine, N,N-bis(carboxymethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Glycine, N,N-bis(carboxymethyl)- 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: 20-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/12171Restricted substance: Potassium [N,N-bis(carboxymethyl)glycinato(3-)-N,O,O',O'']cadmate(1-)Triglycollamic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Nitrilotriacetic acid and salts: Human health tier II assessment |
| Brandgefahren | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992)Combustible under specific conditions. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air. |
| Gesundheitsgefahren | Toxicity and health hazard of these compounds are low. Contact with eyes causes irritation. (USCG, 1999) |
| Gefahrenübersicht | A skin, eye, and respiratory tract irritantA possible human carcinogen[ICSC] An eye irritantNephrotoxic in experimental animalsNo evidence of teratogenicity in rats, rabbits, or miceEmergency treatment: Oxalic acid |
Herstellung & Synthese
synthetische
The synthesis of nitrilotriacetic acid involves the following steps:Chloroacetic acid is reacted with sodium hydroxide to produce sodium chloroacetate.Sodium chloroacetate then reacts with ammonium chloride to form sodium aminotriacetate.The resulting sodium aminotriacetate is acidified to obtain nitrilotriacetic acid.