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205371-27-3 molecular structure
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2-(tributylstannyl)pyrazine

ChemBase ID: 8580
Molecular Formular: C16H30N2Sn
Molecular Mass: 369.1238
Monoisotopic Mass: 370.14309297
SMILES and InChIs

SMILES:
c1cnc(cn1)[Sn](CCCC)(CCCC)CCCC
Canonical SMILES:
CCCC[Sn](c1nccnc1)(CCCC)CCCC
InChI:
InChI=1S/C4H3N2.3C4H9.Sn/c1-2-6-4-3-5-1;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;
InChIKey:
OVBXTKIWZAHFAC-UHFFFAOYSA-N

Cite this record

CBID:8580 http://www.chembase.cn/molecule-8580.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(tributylstannyl)pyrazine
IUPAC Traditional name
2-(tributylstannyl)pyrazine
Synonyms
(Pyrazin-2-yl)tributylstannane
2-(Tributylstannyl)pyrazine
(2-Pyrazinyl)tributyltin
Tributylstannylpyrazine
2-(Tributylstannyl)pyrazine
2-Tributylstannylpyrazine
2-Pyrazinyltri-n-butylstannane
Tri-n-butyl-2-pyrazinyltin
2-(Tri-n-butylstannyl)pyrazine
(2-吡嗪基)三丁基锡
三丁基锡烷基吡嗪
2-(三正丁基锡)吡嗪
CAS Number
205371-27-3
MDL Number
MFCD01319077
PubChem SID
24885295
160971887
PubChem CID
2737316

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2056227  LogD (pH = 7.4) 3.205699 
Log P 3.2057  Molar Refractivity 79.8897 cm3
Polarizability 35.973995 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
130 °C/1 mmHg expand Show data source
130°C/1mm expand Show data source
130/1mm expand Show data source
Flash Point
>110°C expand Show data source
>110°C(230°F) expand Show data source
>113 °C expand Show data source
>235.4 °F expand Show data source
Density
1.1706 expand Show data source
1.1706 g/mL at 25 °C expand Show data source
1.171 expand Show data source
Refractive Index
1.5158 expand Show data source
1.5160 expand Show data source
n20/D 1.5158 expand Show data source
Storage Warning
KEEP COLD expand Show data source
Toxic/Harmful/Irritant/Air Sensitive/Moisture Sensitive/Store under Argon/Store at -20°C expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
2788 expand Show data source
UN2788 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
6.1 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
21-25-36/38-48/23/25-50/53 expand Show data source
Safety Statements
35-36/37/39-45-60-61 expand Show data source
36/37/39-45-60-61 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 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
H301-H312-H315-H319-H372-H400-H410 expand Show data source
H301-H312-H315-H319-H372-H410 expand Show data source
GHS Precautionary statements
P273-P280-P301 + P310-P305 + P351 + P338-P314-P501 expand Show data source
P280-P273-P309-P310-P501A 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 2788 6.1/PG 2 expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
90% expand Show data source
95% expand Show data source
98% expand Show data source
Linear Formula
(C4H3N2)Sn[(CH2)3CH3]3 expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
Apollo Scientific Ltd - OR6448 external link
Remainder non-aromatic trialkyl and tetraalkyltins.
Sigma Aldrich - 675660 external link
Application
Microwave-assisted synthesis of substituted pyranones by palladium-catalyzed cross-coupling of arylstannanes with pyranyl triflates.1
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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