HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Isopropylnitrit
2-propyl nitrite · propan-2-yl nitrite · Isopropylnitrit · 2-propanolnitrite · Isopropyl nitrite · Isopropyl nitritel · 1-methylethylnitrite · 2-(Nitrosooxy)propane
Identifikatoren & physikalische Daten
| CAS No. | 541-42-4 |
|---|---|
| Summenformel | C3H7NO2 |
| Durchschnittliche Molmasse | 89,09 g/mol |
| Monoisotopische Masse | 89,04767846 g/mol |
| SMILES | CC(C)ON=O |
| InChIKey | SKRDXYBATCVEMS-UHFFFAOYSA-N |
| PubChem CID | 10929 |
| EC No. | 208-779-0 |
| DTXSID | DTXSID3052191 |
| Lokaler Name | Isopropylnitrit |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 44,1 |
| Siedepunkt | 39℃ |
| Dichte | 1.02 |
| Dampfdruck | 57.595-61.088kPa at 25℃ |
| Brechungsindex | nD20 1.3520 |
| Flammpunkt | -37℃ |
| InChI | InChI=1S/C3H7NO2/c1-3(2)6-4-5/h3H,1-2H3 |
| InChIKey | SKRDXYBATCVEMS-UHFFFAOYSA-N |
| SMILES | N(=O)OC(C)C |
| LogP (Verteilungskoeffizient) | 1.79 |
| EPA chemische Informationen | Nitrous acid, 1-methylethyl ester (541-42-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] |
|---|---|
| Regulatorische Informationen | Status: Active Update: 07-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/27601Isopropyl nitrite: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Flammable liquids - Category 2Serious eye damage/eye irritation - Category 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1992 |
| R-Sätze (R) | 8-11-23/24/25-36/37/38 |
| Gefahrensymbole | O,T |
| Sicherheitshinweise (S) | 17-26-36/37/39-45 |
| Gefahrenklasse | 3.1 |
| Verpackungsgruppe | I |
Anwendungen & Verwendung
Verwenden
Isopropyl nitrite is used in the preparation of heterocyclic amides as RIP1 kinase inhibitors.