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Propiolsure
PROPYNOIC ACID · propiolic · Propinoic acid · Propynoate · PROPARGYLIC ACID · 2-PROPYNIOC ACID · HCequivCCOOH · PROPIOLIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 471-25-0 |
|---|---|
| Summenformel | C3H2O2 |
| Durchschnittliche Molmasse | 70,05 g/mol |
| Monoisotopische Masse | 70,0054793 g/mol |
| SMILES | C#CC(=O)O |
| InChIKey | UORVCLMRJXCDCP-UHFFFAOYSA-N |
| PubChem CID | 10110 |
| ChEMBL | CHEMBL1213530 |
| ChEBI | CHEBI:33199 |
| EC No. | 207-437-8 |
| DTXSID | DTXSID6060050 |
| Lokaler Name | Propiolsure |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 84,3 |
| Stoffklassen | Other Classes -> Organic Acids |
| SpringerMaterials Properties | Coriolis coupling |
| Geruch | Odor resembling acetic acid |
| Dichte | 1.1380 g/cu cm at 20 °C1.138 g/mL at 25 °C (lit.) |
| Color/Form | Crystals from carbon disulfdeCrystals or liquid |
| Löslichkeit | Very soluble in water, ether, ethanol, chloroformMiscible with waterChloroform (Soluble), Methanol (Soluble) |
| Flammpunkt | 58 °C (136 °F) - closed cup138 °F |
| Siedepunkt | 144 °C (decomposes)BP: 72 °C at 50 mm Hg102 °C/200 mmHg (lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke and irrirating fumes. |
| Schmelzpunkt | 18 °C16-18 °C (lit.) |
| Dampfdruck | 3.5 [mmHg] |
| Brechungsindex | Index of refraction: 1.4306 at 20 °C/Dn20/D 1.431(lit.) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid After Melting |
| pKa (Säurekonstante) | 1.84(at 25℃) |
| Farbe | Clear colorless to light brown |
| Wichte | 1.138 |
| Merck | 14,7821 |
| BRN | 878176 |
| Stabilität | Stable. Incompatible with bases, oxidizing agents, reducing agents. Combustible. |
| InChI | 1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5) |
| InChIKey | UORVCLMRJXCDCP-UHFFFAOYSA-N |
| SMILES | OC(=O)C#C |
| CAS Datenbank | 471-25-0(CAS DataBase Reference) |
| NIST chemische Informationen | Propiolic acid(471-25-0) |
| EPA chemische Informationen | 2-Propynoic acid (471-25-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (91.8%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H226: Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: 2-Propynoic acidStatus: Active Update: 08-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24565 |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Gefahrenübersicht | Causes burns[HSDB] Causes burns and lachrymationInhalation may cause corrosive injuries to upper respiratory tract and lungsHighly toxic skin absorptionToxic by ingestion[Sigma-Aldrich MSDS] See 1-Butyne. See Acrylic acid. |
| Hazard Classes and Categories | Flam. Liq. 3 (91.8%)Flammable liquids - Category 3 |
| Hazardous Reactivities and Incompatibilities | Reacts with solutions of copper(I) or silver salts in ammonia to form an explosive precipitate. |
| Brandbekämpfungsverfahren | Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special protective equipment for fire-fighters: Wear self contained breathing apparatus for fire fighting if necessary. |
| Lagerbedingungen | Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Recommended storage temperature: 2 - 8 °C |
| Reinigungsverfahren |
Anwendungen & Verwendung
Verwenden
Propiolic acid is an intermediate in monohalogenated acetylene synthesis and a corrosion inhibitor for steel.