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2-Hydroxyethyliminodi(essigsure)
HIDA · HEIDA · usafdo-37 · USAF do-37 · ETHANOL DIGLYCINE · IFLAB-BB F1019-0008 · 2,2'-((2-Hydroxyethyl) · ethanolamine-n,n-diaceticacid
Identifikatoren & physikalische Daten
| CAS No. | 93-62-9 |
|---|---|
| Summenformel | C6H11NO5 |
| Durchschnittliche Molmasse | 177,16 g/mol |
| Monoisotopische Masse | 177,06372245 g/mol |
| SMILES | O=C(O)CN(CCO)CC(=O)O |
| InChIKey | JYXGIOKAKDAARW-UHFFFAOYSA-N |
| PubChem CID | 7152 |
| ChEBI | CHEBI:143268 |
| EC No. | 202-263-9 |
| DTXSID | DTXSID4042177 |
| Lokaler Name | 2-Hydroxyethyliminodi(essigsure) |
Chemische & physikalische Eigenschaften
| XLogP | -3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 98,1 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 153 |
| Physical Description | White solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 178 °C (lit.) |
| Siedepunkt | 309.06°C (rough estimate) |
| Dichte | 1.4347 (rough estimate) |
| Dampfdruck | 8.398hPa at 21.1℃ |
| Brechungsindex | 1.4230 (estimate) |
| Lagerbedingungen | 2-8°C, protect from light |
| Löslichkeit | 0.1 M NaOH: 50 mg/mL, clear18.61g/L at 25℃ |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | pK1:2.2pK2:8.65 (25°C,μ=0.1) |
| Farbe | White to Almost white |
| BRN | 1780628 |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C6H11NO5/c8-2-1-7(3-5(9)10)4-6(11)12/h8H,1-4H2,(H,9,10)(H,11,12) |
| InChIKey | JYXGIOKAKDAARW-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CN(CC(O)=O)CCO |
| LogP (Verteilungskoeffizient) | -1.17 at 25℃ |
| CAS Datenbank | 93-62-9(CAS DataBase Reference) |
| EPA chemische Informationen | N-(2-Hydroxyethyl)iminodiacetic acid (93-62-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (57.9%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (11.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (23.2%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (64.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (23.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (22.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 190 reports by companies from 8 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. |
|---|---|
| Regulatorische Informationen | Chemical: Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-Status: Active Update: 16-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22258 |
| Gefahrenübersicht | Intraperitoneal LD50 (mouse) = 100 mg/kg[RTECS] A skin and strong eye irritant[Sigma-Aldrich MSDS] See Iminodiacetic acid, |
| Hazard Classes and Categories | Acute Tox. 4 (57.9%)Skin Corr. 1B (11.6%)Skin Irrit. 2 (23.2%)Eye Dam. 1 (64.7%)Eye Irrit. 2 (23.7%)STOT SE 3 (22.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29252900 |
| RTECS-Nr. | AI1925000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
N-(2-Hydroxyethyl)iminodiacetic Acid (cas# 93-62-9) is a compound useful in organic synthesis.