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1,3-Dibrompropan
1,3-Dibrompropan · 1,3-dibromo-propan · ,’-Dibromopropane · Dibromo-1,3 propane · 1,3-Propylenebromide · 1,3-propanedibromide · TRIMETHYLENE BROMIDE · TRIMETHYLENE DIBROMIDE
Identifikatoren & physikalische Daten
| CAS No. | 109-64-8 |
|---|---|
| Summenformel | C3H6Br2 |
| Durchschnittliche Molmasse | 201,89 g/mol |
| Monoisotopische Masse | 199,88362439 g/mol |
| SMILES | BrCCCBr |
| InChIKey | VEFLKXRACNJHOV-UHFFFAOYSA-N |
| PubChem CID | 8001 |
| EC No. | 203-690-3 |
| DTXSID | DTXSID1021902 |
| Lokaler Name | 1,3-Dibrompropan |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 12,4 |
| Stoffklassen | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (Verteilungskoeffizient) | log Kow = 2.37 |
| Geruch | Sweet odor |
| Dichte | 1.9712 g/cu cm at 15 °C1.977 @25 °C1.989 g/mL at 25 °C (lit.) |
| Color/Form | Colorless liquid |
| Löslichkeit | 1.68 g/L in water at 30 °C. Soluble in alcohol and etherIn water, 1,700 mg/L at 25 °C1.68g/l1.7 g/L (30 ºC) |
| Flammpunkt | Flash point: -34.4 °C54 °C |
| Siedepunkt | 167 °C166.5 °C @760 [mm Hg]167 °C (lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen bromide/. |
| Schmelzpunkt | -36 °C-34.5 °C-34 °C (lit.) |
| Dampfdruck | 1.36 [mmHg]1.36 mm Hg at 25 °C1.36 [mm Hg] @25 °C2.6 hPa (20 °C) |
| Dampfdichte | 7 (vs air) |
| Brechungsindex | n20/D 1.524(lit.) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| Merck | 14,9713 |
| BRN | 635662 |
| Henry-Konstante | 1.1×10-3 mol/(m3Pa) at 25℃, Mackay et al. (1993) |
| Dielektrizitätskonstante | 4.3(20℃) |
| Stabilität | Stable. Incompatible with strong oxidizing agents, strong bases. Flammable. |
| InChI | 1S/C3H6Br2/c4-2-1-3-5/h1-3H2 |
| InChIKey | VEFLKXRACNJHOV-UHFFFAOYSA-N |
| SMILES | BrCCCBr |
| CAS Datenbank | 109-64-8(CAS DataBase Reference) |
| NIST chemische Informationen | Propane, 1,3-dibromo-(109-64-8) |
| EPA chemische Informationen | Propane, 1,3-dibromo- (109-64-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 23.7% (52 of 219) of reports.WarningH226 (75.3%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 219 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard] |
|---|---|
| Regulatorische Informationen | Chemical: Propane, 1,3-dibromo-Status: Active Update: 09-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/195301,3-Dibromopropane: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - 1-bromo-3-chloropropane and 1,3-dibromopropane |
| Gefahrenübersicht | Feeding study with young and newborn rats showed liver toxicity (hypertrophy of hepatocytes and change in biochemical parameters) and reduction of body weightsEmergency medical treatment: 1-Bromopropane. [HSDB] A mutagenEffects in high-dose animal studies include convulsions[RTECS] |
| Hazard Classes and Categories | Flam. Liq. 3 (75.3%)Flammable liquids - Category 3Hazardous to the aquatic environment (Acute) - Category 2 |
| Brandbekämpfungsverfahren | If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Use alcohol foam, dry chemical or carbon dioxide. Keep run-off water out of sewers and water sources. /Bromopropanes/ |
| Preventive Measures | If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Use alcohol foam, dry chemical or carbon dioxide. Keep run-off water out of sewers and water sources. /Bromopropanes/ |
Anwendungen & Verwendung
Verwenden
1,3-Dibromopropane is used to prepare C3-bridged compounds through C-N coupling reactions. It is used in the preparation of 2,3,4,5-tetrahydro-7,7-diphenylimidazo- [2,1-b]-thiazine-6(7H)-one by reacting with potassium salt of 5,5-diphenyl-2-thiohydantoin.