BippyPhos

HCID 11547931

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Grundinformationen

CAS: 894086-00-1
Standard-SMILES: CC(C)(C)P(c1ccnn1-c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1)C(C)(C)C
InChIKey: PTXJGGGNGMPMBG-UHFFFAOYSA-N
Summenformel: C32H35N4P
Durchschnittliche Molmasse: 506,6 g/mol
Monoisotopische Masse: 506,25993413

Namen und Bezeichner

Bevorzugter Name: BippyPhos
IUPAC: ditert-butyl-[2-(1,3,5-triphenylpyrazol-4-yl)pyrazol-3-yl]phosphane
Englischer Name: 5-(Di-tert-butylphosphino)-1', 3', 5'-triphenyl-1'H-[1,4']bipyrazole
Summenformel: C32H35N4P
Molmasse: 506.62

Namen und Synonyme

BippyPhosDTXSID00468368RefChem:119976DTXCID90419187894086-00-15-(di-tert-Butylphosphino)-1',3',5'-triphenyl-1'H-1,4'-bipyrazoleDitert-butyl-[2-(1,3,5-triphenylpyrazol-4-yl)pyrazol-3-yl]phosphane5-(Di-tert-butylphosphino)-1', 3', 5'-triphenyl-1'H-[1,4']bipyrazoleMFCD090384405-(di-tert-butylphosphanyl)-1',3',5'-triphenyl-1'H-1,4'-bipyrazole5-(DI-T-BUTYLPHOSPHINO)-1',3',5'-TRIPHENYL-1,4'-BI-1H-PYRAZOLE5-(DI-TERT-BUTYLPHOSPHINO)-1',3',5'-TRIPHENYL-1'H-[1,4']BIPYRAZOLE

Weitere Namen anzeigen

95% t-Bu-BippyPhos5-(di-tert-butylphosphanyl)-1',3',5'-triphenyl-1'H-1,4'-bipy...5-[BIS(TERT-BUTYL)PHOSPHINO]-1',3',5'-TRIPHENYL-1,4'-BI-1H-PYRAZOLE5-ditert-butylphosphino-1',3',5'-triphenyl-1'H-[1,4']dipyridineazole

5-[Di(tert-butyl)phosphino]-1',3',5'-triphenyl-1'H-[1,4']bipyrazolylC32H35N4PT-BU-BIPPYPHOSSCHEMBL140011PTXJGGGNGMPMBG-UHFFFAOYSA-NAKOS016009965CS-W0138205-(Di-tert-butylphosphino)-1 inverted exclamation marka, 3 inverted exclamation marka, 5 inverted exclamation marka-triphenyl-1 inverted exclamation markaH-[1,4 inverted exclamation marka]bipyrazole

Datenbank-Bezeichner

CAS: 894086-00-1
PubChem CID: 11547931
DTXSID: DTXSID00468368
EC Number: 814-047-7
Nikkaji: J2.312.503J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 7,1
Polarare Oberfläche (TPSA): 35,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 7
Schwere Atome: 37
Formalladung: 0
Komplexität: 697

Physikochemische Eigenschaften

Schmelzpunkt: 169 · 169-173 °C
Siedepunkt: 652.7 · 652.7±55.0 °C(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: -0.35 · -0.35±0.19(Predicted)
Aggregatzustand: Solid
Farbe: White to tan
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C32H35N4P/c1-31(2,3)37(32(4,5)6)27-22-23-33-36(27)30-28(24-16-10-7-11-17-24)34-35(26-20-14-9-15-21-26)29(30)25-18-12-8-13-19-25/h7-23H,1-6H3
InChIKey: PTXJGGGNGMPMBG-UHFFFAOYSA-N
SMILES: N1(C2=C(C3=CC=CC=C3)N(C3=CC=CC=C3)N=C2C2=CC=CC=C2)C(P(C(C)(C)C)C(C)(C)C)=CC=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 95.5% (105 of 110) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 105 of 110 companies (only 4.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 110 reports by companies from 5 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 105 of 110 reports by companies.；There are 4 notifications provided by 5 of 110 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

wgk: 3
tsca: No
hs_code: 2933199090
risk_code: 36/37/38
safety_code: 26-37
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden5-(Di-tert-butylphosphino)-1', 3', 5'-triphenyl-1'H-[1,4']bipyrazole is a non-proprietary ligand for palladium-catalyzed amination of aryl halides including aryl chlorides. Works best when the palladium source is Pd2(dba)3