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1078-31-5 molecular structure
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2-[(trimethylsilyl)oxy]benzaldehyde

ChemBase ID: 89778
Molecular Formular: C10H14O2Si
Molecular Mass: 194.30246
Monoisotopic Mass: 194.07630622
SMILES and InChIs

SMILES:
O=Cc1c(cccc1)O[Si](C)(C)C
Canonical SMILES:
O=Cc1ccccc1O[Si](C)(C)C
InChI:
InChI=1S/C10H14O2Si/c1-13(2,3)12-10-7-5-4-6-9(10)8-11/h4-8H,1-3H3
InChIKey:
GMQJTDJLZSIFQG-UHFFFAOYSA-N

Cite this record

CBID:89778 http://www.chembase.cn/molecule-89778.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(trimethylsilyl)oxy]benzaldehyde
IUPAC Traditional name
2-[(trimethylsilyl)oxy]benzaldehyde
Synonyms
2-(Trimethylsiloxy)benzaldehyde
2-(Trimethylsilyloxy)benzaldehyde 97%
2-(三甲基硅氧基)苯甲醛
CAS Number
1078-31-5
EC Number
214-081-7
MDL Number
MFCD00040721
Beilstein Number
1939281
PubChem SID
162076634
PubChem CID
66178

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 66178 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9272  LogD (pH = 7.4) 2.9272 
Log P 2.9272  Molar Refractivity 50.7488 cm3
Polarizability 21.356865 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
116-118°C expand Show data source
142°C/25mm expand Show data source
Density
1.013 expand Show data source
Refractive Index
1.5095 expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
Irritant/Air Sensitive/Moisture Sensitive/Store under Argon expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
GHS Precautionary statements
P280-P305+P351+P338-P302+P352-P321-P362-P332+P313 expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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