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3-Brompropin
3-Bromoprop-1-yne · PROPARGYL BROMIDE · PBR · propargyl · 3-BROMOPROPYNE · 3-BROMO-1-PROPYNE · 1-Brom-2-propin · G-BROMOALLYLENE
Identifikatoren & physikalische Daten
| CAS No. | 106-96-7 |
|---|---|
| Summenformel | C3H3Br |
| Durchschnittliche Molmasse | 118,96 g/mol |
| Monoisotopische Masse | 117,9418122 g/mol |
| SMILES | C#CCBr |
| InChIKey | YORCIIVHUBAYBQ-UHFFFAOYSA-N |
| PubChem CID | 7842 |
| EC No. | 203-447-1 |
| DTXSID | DTXSID3042340 |
| Lokaler Name | 3-Brompropin |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 4 |
| Formalladung | 0 |
| Komplexität | 38,5 |
| Stoffklassen | Flammable agents - 3rd degree |
| SpringerMaterials Properties | Coriolis coupling |
| Pestizide | Pesticides -> Fumigants |
| Geruch | Sharp odor |
| Dichte | 1.564 to 1.57 (EPA, 1998)1.579 g/cu cm at 19 °C1.579 @ 19°C1.38 g/mL at 20 °C |
| Color/Form | LiquidColorless, crystalline |
| Löslichkeit | Soluble in ethanol, ether, benzene, carbon tetrachloride, and chloroformIn water, 1.49X10+4 mg/L at 25 °CChloroform, Methanol (Slightly)Miscible with ethanol, ether, benzene, carbon tetrachloride and chloroform. Immiscible with water. |
| Flammpunkt | 50 °F (EPA, 1998)10.0 °C (closed cup)18.0 °C (open cup)65 °F |
| Siedepunkt | 190 to 194 °F at 760 mmHg (EPA, 1998)89 °C97 °C |
| Decomposition | May be decomposed by mild shock. Decomposes when heated under confinement. Dilution with toluene reduces the explosive tendency of the material.When heated to decomposition it emits highly toxic fumes of /hydrogen bromide/. |
| Schmelzpunkt | -77.9 °F (EPA, 1998)-61.07 °C-61°C |
| Dampfdichte | 4.1 (EPA, 1998) - Heavier than airwill sink (Relative to Air)6.87 (Air = 1) |
| Brechungsindex | n20/D 1.494 |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Colorless - Yellow |
| BRN | 605309 |
| Henry-Konstante | 8.8×10-3 mol/(m3Pa) at 25℃, Yates and Gan (1998) |
| InChI | 1S/C3H3Br/c1-2-3-4/h1H,3H2 |
| InChIKey | YORCIIVHUBAYBQ-UHFFFAOYSA-N |
| SMILES | BrCC#C |
| CAS Datenbank | 106-96-7(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Propyne, 3-bromo-(106-96-7) |
| EPA chemische Informationen | Propargyl bromide (106-96-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (92.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, 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 53 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: 1-Propyne, 3-bromo-Status: Active Update: 14-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/282611-Propyne, 3-bromo-: 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.The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | This material detonates at 428F or moreignites by impact. Emits highly toxic fumes of bromides when heated to decomposition. Reacts vigorously with oxidizing materials. Becomes shock-sensitive when mixed with chloropicrin. Unstable, avoid heat, flame, shock, and other chemicals (EPA, 1998)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| Brandpotenzial | Fire and Explosion Hazards: Flammable liquid. Combustion may produce irritants and toxic gases. Closed containers may rupture violently when heated. May be decomposed by mild shock. Decomposes when heatedif diluted with toluene, its explosive properties are practically eliminated. |
| Gesundheitsgefahren | This material is very toxic via the oral route. If inhaled, may be harmfulcontact may cause burns to skin and eyes. (EPA, 1998)· May cause toxic effects if inhaled or absorbed through skin. |
Anwendungen & Verwendung
Beschreibung
Propargyl bromide is a Shock sensitive liquid, lachrymator. Supplied as an 80% solution in toluene stabilized with magnesium oxide. Alternative formulations are currently under development.