HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Aminothiazol-4-essigsure
2-(2-AMINOTHIAZOL-4-YL) ACETIC ACID · 2-AMINO-4-THIAZOLEACETIC ACID · (2-AMINOTHIAZOLE-4-YL)ACETIC ACID · 2-AMino-4-thiazolacetic acid · (2-AMINO-THIAZOL-4-YL)-ACETIC ACID · (2-AMino-1,3-thiazol-4-yl)acetic acid · TIMTEC-BB SBB003994 · Ceftibuten Impurity 2
Identifikatoren & physikalische Daten
| CAS No. | 29676-71-9 |
|---|---|
| Summenformel | C5H6N2O2S |
| Durchschnittliche Molmasse | 158,18 g/mol |
| Monoisotopische Masse | 158,01499843 g/mol |
| SMILES | Nc1nc(CC(=O)O)cs1 |
| InChIKey | DYCLHZPOADTVKK-UHFFFAOYSA-N |
| PubChem CID | 34665 |
| ChEMBL | CHEMBL71460 |
| EC No. | 249-769-6 |
| DTXSID | DTXSID0024509 |
| Lokaler Name | 2-Aminothiazol-4-essigsure |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 104 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 142 |
| Löslichkeit | less than 1 mg/mL at 70 °F (NTP, 1992)DMSO (Slightly)6.5 g/L (20 ºC) |
| Schmelzpunkt | 266 °F (Decomposes) (NTP, 1992)130 °C (dec.)(lit.) |
| Physical Description | 2-amino-4-thiazole acetic acid is a light orange powder. (NTP, 1992) |
| Siedepunkt | 399.0±17.0 °C(Predicted) |
| Dichte | 1.367 (estimate) |
| Dampfdruck | 1.03-1.15hPa at 20℃ |
| Brechungsindex | 1.6430 (estimate) |
| Lagerbedingungen | -20°C |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 3.20±0.10(Predicted) |
| Farbe | White |
| BRN | 127415 |
| Stabilität | Unstable in Solution |
| InChI | 1S/C5H6N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h2H,1H2,(H2,6,7)(H,8,9) |
| InChIKey | DYCLHZPOADTVKK-UHFFFAOYSA-N |
| SMILES | Nc1nc(CC(O)=O)cs1 |
| LogP (Verteilungskoeffizient) | -2.13 at 20℃ and pH4.54-4.64 |
| CAS Datenbank | 29676-71-9(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Amino-4-thiazoleacetic acid (29676-71-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 3.9% (2 of 51) of reports.WarningH315 (96.1%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 4-Thiazoleacetic acid, 2-amino-Status: Active Update: 15-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/22991 |
| Brandgefahren | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Exposure to this compound may cause irritation. |
| Reaktive Gruppe | Acids, Carboxylic |
| Reactivity Profile | An organosulfide and amine derivative, carboxylic acid. Look at Reactive Groups 20 (organosulfides), 7 (amines), and 3 (carboxylic acids) may give indications about reactive tendencies. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (96.1%) |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Amino-4-thiazoleacetic acid has been used in:preparation of poly(2-amino-4-thiazoleacetic acid)/multiwalled carbon nanotubes modified glassy carbon electrodes, for the voltammetric determination of copper ionselectrochemical synthesis of novel thiozole-based copolymer with 2-aminothiazolepreparation of aquabis(2-amino-1,3-thiazole-4-acetato-κ2O,N3)nickel (II)