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18107-18-1 molecular structure
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(diazomethyl)trimethylsilane

ChemBase ID: 130014
Molecular Formular: C4H10N2Si
Molecular Mass: 114.2211
Monoisotopic Mass: 114.06132486
SMILES and InChIs

SMILES:
C[Si](C)(C)C=[N+]=[N-]
Canonical SMILES:
C[Si](C=[N+]=[N-])(C)C
InChI:
InChI=1S/C4H10N2Si/c1-7(2,3)4-6-5/h4H,1-3H3
InChIKey:
ONDSBJMLAHVLMI-UHFFFAOYSA-N

Cite this record

CBID:130014 http://www.chembase.cn/molecule-130014.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(diazomethyl)trimethylsilane
IUPAC Traditional name
trimethylsilyldiazomethane
Synonyms
(Trimethylsilyl)diazomethane, 2M in hexanes
Trimethylsilyldiazomethane
Diazo(trimethylsilyl)methane
Trimethylsilyldiazomethane
(Diazomethyl)trimethylsilane
(Trimethylsilyl)diazomethane solution
(三甲硅烷)重氮甲烷, 2M 正己烷溶液
(三甲硅烷)重氮甲烷
三甲基硅烷化重氮甲烷 溶液
CAS Number
18107-18-1
MDL Number
MFCD00053946
Beilstein Number
1902903
PubChem SID
24874613
162224300
24889702
24862335
PubChem CID
167693
Chemspider ID
146699
MeSH Name
Trimethylsilyldiazomethane
Wikipedia Title
Trimethylsilyldiazomethane

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.643465  H Acceptors
H Donor LogD (pH = 5.5) 0.25019383 
LogD (pH = 7.4) 0.24987915  Log P 0.25019786 
Molar Refractivity 25.2227 cm3 Polarizability 12.320663 Å3
Polar Surface Area 17.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Apperance
greenish-yellow liquid expand Show data source
Flash Point
-14.8 °F expand Show data source
-23 °C expand Show data source
-23°C(-10°F) expand Show data source
-26 °C expand Show data source
-31 °F expand Show data source
-35 °C expand Show data source
-9.4 °F expand Show data source
Density
0.718 expand Show data source
0.718 g/mL at 25 °C expand Show data source
0.773 g/mL at 25 °C expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1992 expand Show data source
UN1992 expand Show data source
MSDS Link
Download expand Show data source
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
1 expand Show data source
2 expand Show data source
I expand Show data source
Risk Statements
45-11-19-22-26-39/26-66-67 expand Show data source
45-11-26-38-39/26-51/53-62-65-67 expand Show data source
62-11-23-36/38-48/20-51/53-65 expand Show data source
Safety Statements
4-9-16-20-23-26-33-36/37/39-45-57-60 expand Show data source
53-16-28-36/37-45 expand Show data source
53-28-36/37-45-61-62 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
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
H225-H302-H330-H336-H350-H370 expand Show data source
H225-H304-H315-H330-H336-H350-H361f-H370-H411 expand Show data source
H225-H330-H315-H319-H304-H361-H373-H411-H401 expand Show data source
GHS Precautionary statements
P201-P210-P260-P273-P281-P284 expand Show data source
P201-P210-P260-P284-P310 expand Show data source
P210-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P405-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 1992 3/PG 1 expand Show data source
UN 1992 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides., Repeated exposure may cause skin dryness or cracking. expand Show data source
Storage Temperature
2-8°C expand Show data source
Target Organ
Lungs expand Show data source
Concentration
~2 M in hexane expand Show data source
2.0 M in diethyl ether expand Show data source
2.0 M in hexanes expand Show data source
2M in hexanes expand Show data source
Grade
technical expand Show data source
Linear Formula
(CH3)3SiCHN2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 527254 external link
Packaging
5, 25, 100 mL in Sure/Seal™
Application
Reactant for preparation of:
• Macrolactam analogs of the natural product macrolide (-)-A26771B with improved metabolic stability and antibacterial activity1
• Aigialomycin D analogues as protein kinase inhibitors for cancer treatment2
• Unnatural α-amino acid derivatives containing gem-bisphosphonates via Michael addition reaction3
• Capped 4-methylumbelliferyl hyaluronan disaccharides and tetrasaccharides as potential hyaluronidase substrates4
• Stictamides A-C as matrix metallopeptidase 12 (MMP12) inhibitors with antitumor invasion activity5
• Endothelin converting enzyme (ECE) Inhibitors WS 75624A and WS 75624B via a cross-metathesis approach6
• Ent-kaurene derivatives as anti-inflammatory agents7
• Desmosdumotin C analogs as potent antitumor agents acting via activation of spindle assembly checkpoint8
• Imidazolo[2,1-b]benzothiazole derivatives as potential p53 inhibitors9
Sigma Aldrich - 362832 external link
Packaging
5, 25, 100, 500 mL in Sure/Seal™
Preparation Note
Preparation of substituted cyclopentenones via [4+1] annulation with vinylketenes.10
Application
Reactant for preparation of:
• Macrolactam analogs of the natural product macrolide (-)-A26771B with improved metabolic stability and antibacterial activity1
• Aigialomycin D analogues as protein kinase inhibitors for cancer treatment2
• Unnatural α-amino acid derivatives containing gem-bisphosphonates via Michael addition reaction3
• Capped 4-methylumbelliferyl hyaluronan disaccharides and tetrasaccharides as potential hyaluronidase substrates4
• Stictamides A-C as matrix metallopeptidase 12 (MMP12) inhibitors with antitumor invasion activity5
• Endothelin converting enzyme (ECE) Inhibitors WS 75624A and WS 75624B via a cross-metathesis approach6
• Ent-kaurene derivatives as anti-inflammatory agents7
• Desmosdumotin C analogs as potent antitumor agents acting via activation of spindle assembly checkpoint8
• Imidazolo[2,1-b]benzothiazole derivatives as potential p53 inhibitors9
Synthetic applications include metathesis and cycloaddition reactions.Regioselective dipolar cycloadditions to give amino acids and azakainoids.
Sigma Aldrich - 92738 external link
Application
Reactant for preparation of:
• Macrolactam analogs of the natural product macrolide (-)-A26771B with improved metabolic stability and antibacterial activity1
• Aigialomycin D analogues as protein kinase inhibitors for cancer treatment2
• Unnatural α-amino acid derivatives containing gem-bisphosphonates via Michael addition reaction3
• Capped 4-methylumbelliferyl hyaluronan disaccharides and tetrasaccharides as potential hyaluronidase substrates4
• Stictamides A-C as matrix metallopeptidase 12 (MMP12) inhibitors with antitumor invasion activity5
• Endothelin converting enzyme (ECE) Inhibitors WS 75624A and WS 75624B via a cross-metathesis approach6
• Ent-kaurene derivatives as anti-inflammatory agents7
• Desmosdumotin C analogs as potent antitumor agents acting via activation of spindle assembly checkpoint8
• Imidazolo[2,1-b]benzothiazole derivatives as potential p53 inhibitors9

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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