HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Nitroethanol
Ethanol, 2-nitro- · 2-nitroethan-1-ol · nitroethanol · B-Nitroethanol · 2-nitro-ethano · 2-NITROETHANOL · 2-Nitro-1-ethanol · beta-Nitroethanol
Identifikatoren & physikalische Daten
| CAS No. | 625-48-9 |
|---|---|
| Summenformel | C2H5NO3 |
| Durchschnittliche Molmasse | 91,07 g/mol |
| Monoisotopische Masse | 91,02694302 g/mol |
| SMILES | O=[N+]([O-])CCO |
| InChIKey | KIPMDPDAFINLIV-UHFFFAOYSA-N |
| PubChem CID | 12252 |
| ChEMBL | CHEMBL324774 |
| EC No. | 210-895-1 |
| DTXSID | DTXSID8025751 |
| Lokaler Name | 2-Nitroethanol |
Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 47,2 |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (Verteilungskoeffizient) | -0.42 |
| Dichte | 1.27 at 59 °F (NTP, 1992) - Denser than waterwill sink1.27 g/mL at 25 °C (lit.) |
| Löslichkeit | less than 1 mg/mL at 70 °F (NTP, 1992)Chloroform, DMSO, Methanol (Sparingly) |
| Flammpunkt | greater than 235 °F (NTP, 1992)>230 °F |
| Siedepunkt | 381 °F at 765 mmHg (NTP, 1992)194 °C/765 mmHg (lit.) |
| Schmelzpunkt | -112 °F (NTP, 1992)-80 °C (lit.) |
| Physical Description | Mobile dark brown-red liquid with a pungent odor. (NTP, 1992) |
| Brechungsindex | n20/D 1.445(lit.) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 8.42±0.29(Predicted) |
| Farbe | Clear yellow |
| BRN | 1633753 |
| Henry-Konstante | 2.0×102 mol/(m3Pa) at 25℃, Raventos-Duran et al. (2010) |
| InChI | InChI=1S/C2H5NO3/c4-2-1-3(5)6/h4H,1-2H2 |
| InChIKey | KIPMDPDAFINLIV-UHFFFAOYSA-N |
| SMILES | C(O)C[N+]([O-])=O |
| CAS Datenbank | 625-48-9(CAS DataBase Reference) |
| NIST chemische Informationen | Ethanol, 2-nitro-(625-48-9) |
| EPA chemische Informationen | 2-Nitroethanol (625-48-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Ethanol, 2-nitro-: Does not have an individual approval but may be used under an appropriate group standard |
| Brandgefahren | This chemical is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: The vapor or mist of this compound is irritating to the eyes, mucous membranes and upper respiratory tract. It also causes skin irritation. |
| Reaktive Gruppe | Alcohols and Polyols |
| Reactivity Profile | 2-NITROETHANOL is incompatible with strong oxidizing agents, strong bases, acid chlorides and acid anhydrides. It has exploded under vacuum distillation(attributed to the presence of peroxides or alkali). (NTP, 1992) |
| Air and Water Reactions | Hygroscopic. Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Brandbekämpfung | Fires involving this chemical should be controlled using a carbon dioxide, dry chemical 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, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing 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. |
Anwendungen & Verwendung
Verwenden
2-Nitroethanol is an aliphatic β-nitro alcohol used as an in vivo therapeutic corneoscleral crosslinking agents with higher order nitroalcohol. It also functions as a crosslinking reagent for scieral tissue cross-linking of the eye cornea for treating keratoconus and post-surgical keratectasia.