ホスファゼンベースP4-T-BU 溶液

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

HCID 4339838

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 111324-04-0
標準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
分子式: C22H63N13P4
平均分子量: 633.7 g/mol
単同位体質量: 633.42798706

名称と識別子

優先名称: 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
現地名: ホスファゼンベースP4-T-BU 溶液
英語名: 1-tert-Butyl-4,4,4-tris(dimethylamino)-2,2-bis[tris(dimethylamino)-phosphoranylide-namino]-2lambda5,4lambda5-catenadi(phosphazene)
分子式: C22H63N13P4
分子量: 633.72

名称と別名

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]

名称をさらに表示

ホスファゼンベースP4-T-BU 溶液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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.7
極性表面積: 78.6 Å²
水素結合供与体数: 0
水素結合受容体数: 13
回転可能結合数: 13
重原子数: 39
形式電荷: 0
複雑度: 820

物理化学的性質

融点: 207 ° · 207°
沸点: 608 · 608.0±38.0 °C(Predicted)
比重(密度): 0.9 g/mL · 0.90 g/mL at 20 °C
闪点: -26 °C · -26 °C
外見: 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

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

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
Hazard Classifications: Aquatic Chronic 3Asp. Tox. 1Eye Dam. 1Flam. Liq. 2Repr. 2Skin Corr. 1BSTOT RE 1 InhalationSTOT SE 3
ストレージクラス: 3 - Flammable liquids