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2975-46-4 molecular structure
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3-(trimethylsilyl)prop-2-ynal

ChemBase ID: 140940
Molecular Formular: C6H10OSi
Molecular Mass: 126.2285
Monoisotopic Mass: 126.05009147
SMILES and InChIs

SMILES:
C[Si](C)(C)C#CC=O
Canonical SMILES:
O=CC#C[Si](C)(C)C
InChI:
InChI=1S/C6H10OSi/c1-8(2,3)6-4-5-7/h5H,1-3H3
InChIKey:
LJRWLSKYGWLYIM-UHFFFAOYSA-N

Cite this record

CBID:140940 http://www.chembase.cn/molecule-140940.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(trimethylsilyl)prop-2-ynal
IUPAC Traditional name
3-(trimethylsilyl)prop-2-ynal
Synonyms
3-Trimethylsilylpropynal
(Trimethylsilyl)propiolaldehyde
3-(Trimethylsilyl)-2-propynal
3-三甲基硅烷基丙炔醛
3-三甲硅基丙炔醛
3-三甲基甲硅烷基丙炔醛
CAS Number
2975-46-4
MDL Number
MFCD01103709
PubChem SID
162235177
PubChem CID
2760865

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2760865 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.648  LogD (pH = 7.4) 1.648 
Log P 1.648  Molar Refractivity 29.9229 cm3
Polarizability 13.689478 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid, Packaged under argon expand Show data source
Flash Point
29 °C expand Show data source
84.2 °F expand Show data source
Density
0.854 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.444 expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1224 expand Show data source
UN1993 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
II expand Show data source
Risk Statements
10-36/37/38 expand Show data source
11-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
26-37-60 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
Warning expand Show data source
GHS Hazard statements
H225-H315-H319-H335 expand Show data source
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
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 1224 3/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C6H10OSi expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 687170 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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