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153136-05-1 molecular structure
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2,3-N',3-N',3-N,3-N,7-N',7-N',7-N,7-N,8-decamethyl-5-[(2,4,4-trimethylpentan-2-yl)imino]-5-N-[tris(dimethylamino)-λ5-phosphanylidene]-2,4,6,8-tetraaza-3λ5,5λ5,7λ5-triphosphanona-3,6-diene-3,3,5,7,7-pentamine

ChemBase ID: 152654
Molecular Formular: C26H71N13P4
Molecular Mass: 689.824084
Monoisotopic Mass: 689.49058586
SMILES and InChIs

SMILES:
CC(C)(C)CC(C)(C)N=P(N=P(N(C)C)(N(C)C)N(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C
Canonical SMILES:
CN(P(=NP(=NC(CC(C)(C)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)C
InChI:
InChI=1S/C26H71N13P4/c1-25(2,3)24-26(4,5)27-40(28-41(31(6)7,32(8)9)33(10)11,29-42(34(12)13,35(14)15)36(16)17)30-43(37(18)19,38(20)21)39(22)23/h24H2,1-23H3
InChIKey:
HGZNCRLCTDLORC-UHFFFAOYSA-N

Cite this record

CBID:152654 http://www.chembase.cn/molecule-152654.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-N',3-N',3-N,3-N,7-N',7-N',7-N,7-N,8-decamethyl-5-[(2,4,4-trimethylpentan-2-yl)imino]-5-N-[tris(dimethylamino)-λ5-phosphanylidene]-2,4,6,8-tetraaza-3λ5,5λ5,7λ5-triphosphanona-3,6-diene-3,3,5,7,7-pentamine
IUPAC Traditional name
2,3-N',3-N',3-N,3-N,7-N',7-N',7-N,7-N,8-decamethyl-5-[(2,4,4-trimethylpentan-2-yl)imino]-5-N-[tris(dimethylamino)-λ5-phosphanylidene]-2,4,6,8-tetraaza-3λ5,5λ5,7λ5-triphosphanona-3,6-diene-3,3,5,7,7-pentamine
Synonyms
1-tert-Octyl-4,4,4-tris(dimethylamino)-2,2-bis[tris(dimethylamino)phosphoranylidenamino]-2λ5,4λ5-catenadi(phosphazene)
Phosphazene base P4-t-Oct solution
1-叔辛基-4,4,4-三(二甲氨基)-2,2-二[三(二甲氨基)正膦亚基氨基]-2Λ5,4Λ5-连二(磷氮基化合物)
磷腈配体 P4-叔辛基 溶液
CAS Number
153136-05-1
MDL Number
MFCD00145115
Beilstein Number
6641377
PubChem SID
24887458
162246798
PubChem CID
3582573

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
79422 external link Add to cart Please log in.
Data Source Data ID
PubChem 3582573 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 13  H Donor
LogD (pH = 5.5) -1.7450926  LogD (pH = 7.4) -1.7450392 
Log P -1.7450385  Molar Refractivity 201.595 cm3
Polarizability 78.084465 Å3 Polar Surface Area 78.6 Å2
Rotatable Bonds 15  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
-14.8 °F expand Show data source
-26 °C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
UN Number
2924 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-34-48/20-51/53-62-65-67 expand Show data source
Safety Statements
16-26-36/37/39-45-61-62 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H304-H314-H336-H361f-H373-H411 expand Show data source
GHS Precautionary statements
P210-P261-P273-P280-P301 + P310-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2924 3/PG 2 expand Show data source
Concentration
1.00 M±0.05 M in hexane expand Show data source
Empirical Formula (Hill Notation)
C26H71N13P4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 79422 external link
Other Notes
Extremely strong and hindered, neutral nitrogen base. It is about 1017 times more basic than DBU [pKa (DMSO) 29.43]1,2
Packaging
1 mL in glass bottle
Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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