Home > Compound List > Compound details
137334-98-6 molecular structure
click picture or here to close

3,3,5,5-tetrakis(dimethylamino)-2,6-dimethyl-2,4,6-triaza-3λ5,5λ5-diphosphahepta-3,4-dien-4-ium; tetrafluoroboranuide

ChemBase ID: 148661
Molecular Formular: C12H36BF4N7P2
Molecular Mass: 427.2132748
Monoisotopic Mass: 427.25366073
SMILES and InChIs

SMILES:
[B-](F)(F)(F)F.CN(C)P(=[N+]=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
Canonical SMILES:
F[B-](F)(F)F.CN(P(=[N+]=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C)C
InChI:
InChI=1S/C12H36N7P2.BF4/c1-14(2)20(15(3)4,16(5)6)13-21(17(7)8,18(9)10)19(11)12;2-1(3,4)5/h1-12H3;/q+1;-1
InChIKey:
DPIDWCQJGWFENO-UHFFFAOYSA-N

Cite this record

CBID:148661 http://www.chembase.cn/molecule-148661.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,3,5,5-tetrakis(dimethylamino)-2,6-dimethyl-2,4,6-triaza-3λ5,5λ5-diphosphahepta-3,4-dien-4-ium; tetrafluoroboranuide
IUPAC Traditional name
3,3,5,5-tetrakis(dimethylamino)-2,6-dimethyl-2,4,6-triaza-3λ5,5λ5-diphosphahepta-3,4-dien-4-ium tetrafluoroborate
Synonyms
1,1,1,3,3,3-Hexakis(dimethylamino)diphosphazenium tetrafluoroborate
Bis[tris(dimethylamino)phosphoranylidene]ammonium tetrafluoroborate
Phosphazenium tetrafluoroborate P2-BF4
双[三(二甲氨基)正膦亚基]四氟硼酸铵
磷腈四氟硼酸盐 P2-BF4
1,1,1,3,3,3-六(二甲氨基)二磷腈四氟硼酸盐
CAS Number
137334-98-6
MDL Number
MFCD00216714
Beilstein Number
5470923
PubChem SID
24874514
162242836
PubChem CID
11811992

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11811992 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 5.5) -2.198119  LogD (pH = 7.4) -2.198119 
Log P -2.198119  Molar Refractivity 99.105 cm3
Polarizability 39.008163 Å3 Polar Surface Area 19.44 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
≥260 °C(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
14-34 expand Show data source
Safety Statements
26-27-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3261 8/PG 2 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Purity
≥98.0% (T) expand Show data source
Linear Formula
[[(CH3)2N]3P=]2N(BF4) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 447730 external link
Application
用作相转移催化剂。1
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases
包装
1 g in glass bottle
Sigma Aldrich - 52586 external link
Other Notes
Phase transfer catalyst directing enolate alkylation towards O-substitution1; Starting material for preparing the corresponding fluoride, an extremely reactive naked fluoride, with KF2
Packaging
5 g in poly bottle
Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle