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26115-70-8 molecular structure
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tris[3-(trimethoxysilyl)propyl]-1,3,5-triazinane-2,4,6-trione

ChemBase ID: 146045
Molecular Formular: C21H45N3O12Si3
Molecular Mass: 615.8514
Monoisotopic Mass: 615.23110349
SMILES and InChIs

SMILES:
CO[Si](CCCn1c(=O)n(c(=O)n(c1=O)CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC
Canonical SMILES:
CO[Si](CCCn1c(=O)n(CCC[Si](OC)(OC)OC)c(=O)n(c1=O)CCC[Si](OC)(OC)OC)(OC)OC
InChI:
InChI=1S/C21H45N3O12Si3/c1-28-37(29-2,30-3)16-10-13-22-19(25)23(14-11-17-38(31-4,32-5)33-6)21(27)24(20(22)26)15-12-18-39(34-7,35-8)36-9/h10-18H2,1-9H3
InChIKey:
QWOVEJBDMKHZQK-UHFFFAOYSA-N

Cite this record

CBID:146045 http://www.chembase.cn/molecule-146045.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris[3-(trimethoxysilyl)propyl]-1,3,5-triazinane-2,4,6-trione
IUPAC Traditional name
tris[3-(trimethoxysilyl)propyl]-1,3,5-triazinane-2,4,6-trione
Synonyms
Tris[3-(trimethoxysilyl)propyl] isocyanurate
1,3,5-三[3-(三甲氧基甲硅烷基)丙基]-1,3,5-三嗪-2,4,6(1H,3H,5H)-三酮
CAS Number
26115-70-8
EC Number
247-465-8
MDL Number
MFCD00054746
PubChem SID
24867626
162240244
PubChem CID
117734

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
440825 external link Add to cart Please log in.
Data Source Data ID
PubChem 117734 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 12  H Donor
LogD (pH = 5.5) 1.3473  LogD (pH = 7.4) 1.3473 
Log P 1.3473  Molar Refractivity 127.8765 cm3
Polarizability 57.76531 Å3 Polar Surface Area 144.0 Å2
Rotatable Bonds 21  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
250 °C(lit.) expand Show data source
Flash Point
102 °C expand Show data source
215.6 °F expand Show data source
Density
1.17 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.461(lit.) expand Show data source
Viscosity
350 cSt(lit.) expand Show data source
RTECS
XZ2025000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2810 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
23/25-36/38 expand Show data source
Safety Statements
26-45 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319-H331 expand Show data source
GHS Precautionary statements
P261-P301 + P310-P305 + P351 + P338-P311 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2810 6.1/PG 3 expand Show data source
Grade
technical grade expand Show data source
Empirical Formula (Hill Notation)
C21H45N3O12Si3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 440825 external link
Application
Adhesion promoter and cross-linking agent.Improves adhesion to PVC and a variety of substrates.
Packaging
100 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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