Tetrabutylphosphonium bromide (HCID 76564)

Überblick

RN given refers to Br

Namen und Bezeichner

Bevorzugter Name: Tetrabutylphosphonium bromide
IUPAC: tetrabutylphosphanium bromide
Lokaler Name: Tetrabutylphosphoniumbromid
Englischer Name: Tetrabutylphosphonium bromide
Summenformel: C16H36BrP
Molmasse: 339.33

Namen und Synonyme

Tetrabutylphosphonium bromide3115-68-2Tetra-N-butylphosphonium bromidePhosphonium, tetrabutyl-, bromideDTXSID6047945NSC-419422953275L2KDTXCID6027921Bu4PBrDTXSID0045042TBP BrRefChem:188422

Weitere Namen anzeigen

px4bP4,4,4,4BrHISHICOLIN PX-4B1-(3-methoxypropoxy)butaneTributylphosphoniuM broMideTetrabutylphosphoniuM broMidtetrabutyl-phosphoniubromideBromo(tetrabutyl)phosphorane

DTXCID8025042221-487-8Tetrabutylphosphoniumtetrabutylphosphanium;bromideMFCD00011853tetrabutylphosphanium bromidePX 4BEINECS 221-487-8

Datenbank-Bezeichner

CAS: 3115-68-2
PubChem CID: 76564
DTXSID: DTXSID6047945
ChEMBL: CHEMBL3185844
UNII: 2953275L2K
EC Number: 221-487-8

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 12
Schwere Atome: 18
Formalladung: 0
Komplexität: 116

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: 100 · 100-103 °C(lit.)
Dichte: 1.8 · 1.8[at 20℃]
Dampfdruck: 0.018 Pa · 0.018Pa at 25℃
Flammpunkt: 290 °C · 290 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: crystal
Farbe: white
Wasserlöslichkeit: 70 g/100 · ca 70 g/100 mL
BRN: 4160474 · 4160474
Stabilität: hygroscopic
InChI: 1S/C16H36P.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKey: JRMUNVKIHCOMHV-UHFFFAOYSA-M
SMILES: [Br-].CCCC[P+](CCCC)(CCCC)CCCC
LogP: -0.44 at · -0.44 at 23℃
CAS Datenbank: 3115 · 3115-68-2(CAS DataBase Reference)
NIST chemische Informationen: Phosphonium bromide, tetrabutyl(3115-68-2)
EPA chemische Informationen: Phosphonium, tetrabutyl-, bromide (3115-68-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302 (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.

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

Gefahrenhinweise

Regulatory Information · 3 Einträge

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/18995

Tetrabutylphosphonium: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 3 Einträge

Acute Tox. 4 (99.4%)

Skin corrosion/irritation - Category 2

Skin sensitization - Category 1B

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3464 6.1/PG 3
hs_code: 29310095
RTECS-Nr.: TA2417000
risk_code: 21/22-36/37/38-24-20/21/22
Toxizität: mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03131,
hazard_code: Xn,T,Xi
safety_code: 26-37/39-45-36/37/39-28A-36
hazard_class: 6.1
packing_group: II
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Met. Corr. 1Repr. 2Skin Sens. 1B

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesProcessing aids not otherwise specified

General Manufacturing Information · 2 Einträge

Synthetic Rubber Manufacturing

Phosphonium, tetrabutyl-, bromide (1:1): ACTIVE

Anwendungen · 1 Eintrag

VerwendenTetrabutylphosphonium 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.