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

HCID 4339838

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Basic information

CAS: 111324-04-0
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
Molecular formula: C22H63N13P4
Average molar mass: 633.7 g/mol
Monoisotopic mass: 633.42798706

Names & identifiers

Preferred 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
English name: 1-tert-Butyl-4,4,4-tris(dimethylamino)-2,2-bis[tris(dimethylamino)-phosphoranylide-namino]-2lambda5,4lambda5-catenadi(phosphazene)
Molecular formula: C22H63N13P4
Molecular weight: 633.72

Names & synonyms

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]

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 78.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 13
Rotatable bonds: 13
Heavy atoms: 39
Formal charge: 0
Complexity: 820

Physicochemical properties

Melting point: 207 ° · 207°
Boiling point: 608 · 608.0±38.0 °C(Predicted)
Density: 0.9 g/mL · 0.90 g/mL at 20 °C
Flash point: -26 °C · -26 °C
form: 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
FDA UNII: 114 S812CQB · 114S812CQB
UNSPSC Code: 12352001 · 12352001
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05,GHS07,GHS08
Signal word: Danger
Hazard statements: 225 · H225-H304-H314-H336-H361f-H373-H412
Precautionary statements: 210 · P210-P280-P301+P310-P303+P361+P353-P304+P340+P310-P305+P351+P338-P331
target organs: Central nervous system, Nervous system
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: F,C,N
Risk Statements: 11 · 11-34-48/20-51/53-62-65-67-52/53
Safety Statements: 26 · 26-36/37/39-45-61-62-16
RIDADR: 2924 · UN 2924 3/PG 2
WGK Germany: 3 · 3
F: 3 · 3-10-34
HazardClass: 8 · 8
PackingGroup: I
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 Asp · Aquatic Chronic 3Asp. Tox. 1Eye Dam. 1Flam. Liq. 2Repr. 2Skin Corr. 1BSTOT RE 1 InhalationSTOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

F: 3-10-34
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2924 3/PG 2
risk_code: 11-34-48/20-51/53-62-65-67-52/53
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS07,GHS08
hazard_code: F,C,N
safety_code: 26-36/37/39-45-61-62-16
hazard_class: 8
Storage Class: 3 - Flammable liquids
packing_group: I
target organs: Central nervous system, Nervous system
Hazard statements: H225-H304-H314-H336-H361f-H373-H412
Hazard Classifications: Aquatic Chronic 3Asp. Tox. 1Eye Dam. 1Flam. Liq. 2Repr. 2Skin Corr. 1BSTOT RE 1 InhalationSTOT SE 3
Precautionary statements: P210-P280-P301+P310-P303+P361+P353-P304+P340+P310-P305+P351+P338-P331