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14630-40-1 molecular structure
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trimethyl[2-(trimethylsilyl)ethynyl]silane

ChemBase ID: 126168
Molecular Formular: C8H18Si2
Molecular Mass: 170.39952
Monoisotopic Mass: 170.09470364
SMILES and InChIs

SMILES:
C(#C[Si](C)(C)C)[Si](C)(C)C
Canonical SMILES:
C[Si](C#C[Si](C)(C)C)(C)C
InChI:
InChI=1S/C8H18Si2/c1-9(2,3)7-8-10(4,5)6/h1-6H3
InChIKey:
ZDWYFWIBTZJGOR-UHFFFAOYSA-N

Cite this record

CBID:126168 http://www.chembase.cn/molecule-126168.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethyl[2-(trimethylsilyl)ethynyl]silane
IUPAC Traditional name
bis(trimethylsilyl)acetylene
Synonyms
Bis(trimethylsilyl)acetylene
BTMSA
Bis(trimethylsilyl)acetylene
BSTMA
双(三甲基甲硅烷基)乙炔
双(三甲基硅基)乙炔
CAS Number
14630-40-1
EC Number
238-671-9
MDL Number
MFCD00008276
Beilstein Number
906870
PubChem SID
162220509
24851275
PubChem CID
84564
Chemspider ID
76286
Wikipedia Title
Bis(trimethylsilyl)acetylene

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.058  LogD (pH = 7.4) 4.058 
Log P 4.058  Molar Refractivity 38.6946 cm3
Polarizability 20.238567 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
0.031 g/L in water expand Show data source
Apperance
Colorless to white Liquid expand Show data source
Melting Point
20-24°C expand Show data source
21-24 °C(lit.) expand Show data source
26 °C expand Show data source
Boiling Point
134.6 ± 8.0 °C expand Show data source
134-136°C expand Show data source
136-137 °C(lit.) expand Show data source
Flash Point
2 °C expand Show data source
2°C(35°F) expand Show data source
35.6 °F expand Show data source
Density
0.752 g/mL at 25 °C(lit.) expand Show data source
0.770 expand Show data source
0.791 g/cm3 expand Show data source
Refractive Index
1.4270 expand Show data source
n20/D 1.427(lit.) expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
UN1993 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
3 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
10 expand Show data source
11-36/37/38 expand Show data source
Safety Statements
16 expand Show data source
16-26-36 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
Main Hazard
Flammable, Irritant expand Show data source
GHS Hazard statements
H225-H315-H319-H335 expand Show data source
H226 expand Show data source
GHS Precautionary statements
P210-P261 expand Show data source
P210-P261-P305 + P351 + P338 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 1993 3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97.0% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Linear Formula
(CH3)3SiC≡CSi(CH3)3 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 187437 external link
Packaging
10, 50 g in glass bottle
Application
In the presence of CpCo(CO)2 (cat. no. 245259), undergoes cycloaddition with 1,5-hexadiynes to form benzocyclobutenes.1
Sigma Aldrich - 15237 external link
Other Notes
Versatile synthetic reagent1,2,3

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Precursor of lithium TMS acetylide: J. Chem. Soc., Chem. Commun., 840 (1979), and dilithioacetylide: Tetrahedron Lett., 34, 839 (1993).
  • • Reacts with electrophiles via Si-stabilized carbocations ions and subsequent desilylation; see Appendix 4. Thus, Lewis acid promoted reaction with acid chlorides gives alkynyl ketones, leading to a synthesis of ɑ?-enals: J. Org. Chem., 38, 2254 (1973); 57, 3203 (1992):
  • • Addition to chiral acetals in the presence of TiCl4 leads to ɑ-hydroxy alkynes in high yield and ee: J. Am . Chem. Soc., 105, 2904 (1983); J. Chem. Soc., Perkin 1, 3301 (1991). Sulfonyl chlorides give alkynyl sulfones: Org. Synth. Coll., 8, 281 (1993), and references therein.
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PATENTS

PATENTS

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INTERNET

INTERNET

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