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HCID 76564Erstellt: 25. Oktober 2026
Tetrabutylphosphoniumbromid
tetrabutylphosphonium · TETRA-N-BUTYLPHOSPHONIUM BROMIDE · px4b · P4,4,4,4Br · HISHICOLIN PX-4B · 1-(3-methoxypropoxy)butane · TributylphosphoniuM broMide · TetrabutylphosphoniuM broMid
https://huagongshe.com/de/chemical/76564
Identifikatoren & physikalische Daten
| CAS No. | 3115-68-2 |
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| Summenformel | C16H36BrP |
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| Durchschnittliche Molmasse | 339,33 g/mol |
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| Monoisotopische Masse | 338,17379988 g/mol |
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| SMILES | CCCC[P+](CCCC)(CCCC)CCCC.[Br-] |
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| InChIKey | RKHXQBLJXBGEKF-UHFFFAOYSA-M |
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| PubChem CID | 76564 |
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| ChEMBL | CHEMBL3185844 |
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| EC No. | 221-487-8 |
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| DTXSID | DTXSID6047945 |
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| Lokaler Name | Tetrabutylphosphoniumbromid |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 0 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 12 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 116 |
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| Physical Description | Liquid |
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| Schmelzpunkt | 100-103 °C(lit.) |
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| Dichte | 1.8[at 20℃] |
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| Dampfdruck | 0.018Pa at 25℃ |
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| Flammpunkt | 290 °C |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)ca 70 g/100 mL |
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| Aggregatzustand | crystal |
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| Farbe | white |
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| BRN | 4160474 |
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| Stabilität | hygroscopic |
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| InChI | 1S/C16H36P.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H31H/q+1/p-1 |
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| InChIKey | JRMUNVKIHCOMHV-UHFFFAOYSA-M |
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| SMILES | [Br-].CCCC[P+](CCCC)(CCCC)CCCC |
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| LogP (Verteilungskoeffizient) | -0.44 at 23℃ |
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| CAS Datenbank | 3115-68-2(CAS DataBase Reference) |
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| NIST chemische Informationen | Phosphonium bromide, tetrabutyl(3115-68-2) |
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| EPA chemische Informationen | Phosphonium, tetrabutyl-, bromide (3115-68-2) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 163 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H317: May cause an allergic skin reaction [Warning Sensitization, Skin] |
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| Regulatorische Informationen | Phosphonium, tetrabutyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonium, tetrabutyl-, bromide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 06-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18995Tetrabutylphosphonium: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Acute Tox. 4 (99.4%)Skin corrosion/irritation - Category 2Skin sensitization - Category 1B |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 3464 6.1/PG 3 |
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| Zollcode | 29310095 |
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| RTECS-Nr. | TA2417000 |
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| R-Sätze (R) | 21/22-36/37/38-24-20/21/22 |
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| Toxizität | mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03131, |
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| Gefahrensymbole | Xn,T,Xi |
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| Sicherheitshinweise (S) | 26-37/39-45-36/37/39-28A-36 |
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| Gefahrenklasse | 6.1Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Met. Corr. 1Repr. 2Skin Sens. 1B |
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| Verpackungsgruppe | II |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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Anwendungen & Verwendung
Verwenden
Tetrabutylphosphonium bromide (TBPB) is a quaternary salt which can be used:As a medium to disperse ruthenium catalyst for the synthesis of ethylene glycol from synthesis gas via ruthenium melt catalysis.As a catalyst supported on silica or alumina for the halogen exchange reaction to synthesize alkyl bromide from alkyl chloride.To synthesize various ionic liquids on mixing with different proportions of 1,3-dimethylurea for capturing NO gas.As a hydrogen-bond acceptor along with levulinic acid as a hydrogen-bond donor for the preparation of deep eutectic solvents to separate toluene from toluene/n-hexane mixtures.To prepare ionic semiclathrate hydrates.
