N'''-(1,1-Dimethylethyl)-N,N',N''-tris(tris(dimethylamino)phosphoranylidene)phosphorimidic triamide

HCID 4339838CAS 111324-04-0

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Grundinformationen

Standard-SMILES: CN(C)P(=NP(=NC(C)(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
InChIKey: NSRBCQCXZAYQHF-UHFFFAOYSA-N
Summenformel: C22H63N13P4
Durchschnittliche Molmasse: 633,7 g/mol
Monoisotopische Masse: 633,42798706

Namen und Bezeichner

Bevorzugter Name: N'''-(1,1-Dimethylethyl)-N,N',N''-tris(tris(dimethylamino)phosphoranylidene)phosphorimidic triamide
IUPAC: N-[[tert-butylimino-bis[[tris(dimethylamino)-lambda5-phosphanylidene]amino]-lambda5-phosphanyl]imino-bis(dimethylamino)-lambda5-phosphanyl]-N-methylmethanamine
Englischer Name: 1-tert-Butyl-4,4,4-tris(dimethylamino)-2,2-bis[tris(dimethylamino)-phosphoranylide-namino]-2lambda5,4lambda5-catenadi(phosphazene)
Summenformel: C22H63N13P4
Molmasse: 633.72

Namen und Synonyme

111324-04-0tert-Buty-P4Schwesinger P4 baseP4-tert-buty114S812CQB(tert-Butylimino)tris((tris(dimethylamino)phosphoranylidene)amino)phosphoranePhosphorimidic triamide, (1,1-dimethylethyl)tris(tris(dimethylamino)phosphoranylidene)-Phosphorimidic triamide, N'''-(1,1-dimethylethyl)-N,N',N''-tris(tris(dimethylamino)phosphoranylidene)-3-(tert-Butylimino)-1,1,1,5,5,5-hexakis(dimethylamino)-3-((tris(dimethylamino)phosphoranylidene)amino)-1lambda5,3lambda5,5lambda5-1,4-triphosphazadieneRefChem:819790N'''-(1,1-Dimethylethyl)-N,N',N''-tris(tris(dimethylamino)phosphoranylidene)phosphorimidic triamideSchwesinger P4 base [MI]

Weitere Namen anzeigen

PHOSPHAZENE BASE P4-T-BUM in hexanePhosphazene base P4-t-Bu solutionphosphazene base P(4)-T-bu solutionPhosphazene base P4-tert-Bu solutionPhosphazene base P4-t-Bu solution ~0.8 M in hexanePhosphazene base P4-t-Bu solutionPHOSPHAZENE BASE P(4)-T-BU SOLUTION, 1.0 0 M IN N-HEXANEPhosphazene base P4-t-Bu solution purum, ~1.0 M in hexane

N-[[tert-butylimino-bis[[tris(dimethylamino)-lambda5-phosphanylidene]amino]-lambda5-phosphanyl]imino-bis(dimethylamino)-lambda5-phosphanyl]-N-methylmethanamine1-TERT-BUTYL-4,4,4-TRIS(DIMETHYLAMINO)-2,2-BIS[TRIS(DIMETHYLAMINO)-PHOSPHORANYLIDE-NAMINO]-2LAMBDA5,3-tert-butylimino-1,1,1,5,5,5-hexakis(dimethylamino)-3-(tris(dimethylamino)phosphoranylidene)amino-1lambda5,3lambda5,5lambda5-1,4-triphosphazadiene3-tert-butylimino-1,1,1,5,5,5-hexakis(dimethylamino)-3-[tris(dimethylamino)phosphoranylidene]amino-1lambda5,3lambda5,5lambda5-1,4-triphosphazadieneP4-tert-Butyl superbaseUNII-114S812CQBSCHEMBL12346051DTXSID101114057

Datenbank-Bezeichner

CAS: 111324-04-0
PubChem CID: 4339838
DTXSID: DTXSID101114057
UNII: 114S812CQB
EC Number: 629-524-3
Nikkaji: J646.336C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 78,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 13
Frei drehbare Bindungen: 13
Schwere Atome: 39
Formalladung: 0
Komplexität: 820

Physikochemische Eigenschaften

Schmelzpunkt: 207 ° · 207°
Siedepunkt: 608 · 608.0±38.0 °C(Predicted)
Dichte: 0.9 g/mL · 0.90 g/mL at 20 °C
Flammpunkt: -26 °C · -26 °C
Aggregatzustand: liquid
Merck: 13 · 13,8473
BRN: 5784423 · 5784423
InChI: 1S/C22H63N13P4/c1-22(2,3)23-36(24-37(27(4)5,28(6)7)29(8)9,25-38(30(10)11,31(12)13)32(14)15)26-39(33(16)17,34(18)19)35(20)21/h1-21H3
InChIKey: NSRBCQCXZAYQHF-UHFFFAOYSA-N
SMILES: CN(C)P(=NP(=NC(C)(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.；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 CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

F: 3-10-34
wgk: 3
ridadr: UN 2924 3/PG 2
risk_code: 11-34-48/20-51/53-62-65-67-52/53
hazard_code: F,C,N
safety_code: 26-36/37/39-45-61-62-16
hazard_class: 8
packing_group: I
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Aquatic Chronic 3Asp. Tox. 1Eye Dam. 1Flam. Liq. 2Repr. 2Skin Corr. 1BSTOT RE 1 InhalationSTOT SE 3