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

HCID 4339838CAS 111324-04-0

기본 정보

표준 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
분자식: C22H63N13P4
평균 분자량: 633.7 g/mol
단동위원소 질량: 633.42798706

이름 및 식별자

우선 이름: 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
영어명: 1-tert-Butyl-4,4,4-tris(dimethylamino)-2,2-bis[tris(dimethylamino)-phosphoranylide-namino]-2lambda5,4lambda5-catenadi(phosphazene)
분자식: C22H63N13P4
분자량: 633.72

이름 및 동의어

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]

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 78.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 13
회전 가능 결합 수: 13
무거운 원자 수: 39
형식 전하: 0
복잡도: 820

물리화학적 성질

녹는점: 207 ° · 207°
끓는 점: 608 · 608.0±38.0 °C(Predicted)
밀도: 0.9 g/mL · 0.90 g/mL at 20 °C
인화점: -26 °C · -26 °C
물리적 상태: 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

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

안전 데이터

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
포장분류: I
위험 등급: 8
F 고인화성물질: 3-10-34
Hazard Classifications: Aquatic Chronic 3Asp. Tox. 1Eye Dam. 1Flam. Liq. 2Repr. 2Skin Corr. 1BSTOT RE 1 InhalationSTOT SE 3
스토리지 클래스: 3 - Flammable liquids