Tributylhexadecylphosphoniumbromid

Hexadecyltributylphosphonium bromide

HCID 84716CAS 14937-45-2

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Grundinformationen

Standard-SMILES: CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
InChIKey: RYVBINGWVJJDPU-UHFFFAOYSA-M
Summenformel: C28H60P.Br
Durchschnittliche Molmasse: 507,7 g/mol
Monoisotopische Masse: 506,36160065

Überblick

a selective nuclear factor of activated T cells (NFAT) signaling inhibitor; structure in first source

Namen und Bezeichner

Bevorzugter Name: Hexadecyltributylphosphonium bromide
IUPAC: tributyl(hexadecyl)phosphanium bromide
Lokaler Name: Tributylhexadecylphosphoniumbromid
Englischer Name: Cetyltributylphosphonium bromide
Summenformel: C28H60BrP
Molmasse: 507.67

Namen und Synonyme

14937-45-2Tributylhexadecylphosphonium bromideHexadecyltributylphosphonium bromidePhosphonium, tributylhexadecyl-, bromidePhosphonium, tributylhexadecyl-, bromide (1:1)DTXSID50884776THPB compoundRefChem:786058DTXCID301024200239-014-9tributyl(hexadecyl)phosphonium bromideCETYLTRIBUTYLPHOSPHONIUM BROMIDE

Weitere Namen anzeigen

TBHDPBtri-n-butylhexadecylphosphonium bromideHISHICOLIN PX-416BTributyl(hexadecyl)Hexadecyl tributyl pCetyltributyl phosphorus bromidetributyl(cetyl)phosphonium bromide

tributyl(hexadecyl)phosphanium bromideMFCD00011775C28H60BrPtributyl(hexadecyl)phosphanium;bromideHexadecyl tributyl phosphonium bromideTRIBUTYL(HEXADECYL)PHOSPHONIUM;BROMIDEcetyl tributyl phosphonium bromidehexadecyl tributylphosphonium bromide

Datenbank-Bezeichner

CAS: 14937-45-2
PubChem CID: 84716
DTXSID: DTXSID50884776
ChEMBL: CHEMBL110738、CHEMBL380900
EC Number: 239-014-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 24
Schwere Atome: 30
Formalladung: 0
Komplexität: 277

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Phosphorus Compounds

Physical DescriptionWhite hygroscopic powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 56 · 56-58 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: 0.1 g/mL, · methanol: 0.1 g/mL, clear
Aggregatzustand: crystal
Farbe: white
BRN: 4167404 · 4167404
InChI: InChI=1S/C28H60P.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1
InChIKey: RYVBINGWVJJDPU-UHFFFAOYSA-M
SMILES: [P+](CCCC)(CCCC)(CCCC)CCCCCCCCCCCCCCCC.[Br-]
CAS Datenbank: 14937 · 14937-45-2(CAS DataBase Reference)
EPA chemische Informationen: Phosphonium, tributylhexadecyl-, bromide (14937-45-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Phosphonium, tributylhexadecyl-, bromide

Phosphonium, tributylhexadecyl-, bromide: 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.

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Benzyltriphenylphosphonium bromide.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 21
wgk: 3
tsca: TSCA listed
hs_code: 2931599090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPhosphonium, tributylhexadecyl-, bromide (1:1): ACTIVE

Anwendungen · 1 Eintrag

VerwendenTributylhexadecylphosphonium Bromide (CAS# 14937-45-2) is a dynamic compound used as a surface modifier for thermal properties of palygorskite, an additive in water to improve resistance of epoxy-anhydride matrices, and as a modifier of phenolic resin to improve thermal degradation.

Darstellung

synthetischeCetyltributylphosphonium bromide is prepared by heating equimolar amounts of 1-bromohexadecane and Tri-n-butylphosphine at 65 °C for 3 days (yield 68%).