Molfinder
主页
技术支持
关于我们
数据来源
数据统计
博客
Molecule
ID:89778
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₀H₁₄O₂Si
Molecular Mass
194.30246
Exact Mass
194.07630622
Charge
0
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
Canonic Smiles
O=Cc1ccccc1O[Si](C)(C)C
Isomeric Smiles
O=Cc1c(cccc1)O[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9272
LogD (pH = 7.4)
2.9272
Log P
2.9272
Molar Refractivity
50.7488
Polarizability
21.356865
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...
Quote
Download
Navigation
General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Academic Data
•
Commercial Catalog
Names and Identifiers
•
IUPAC Traditional name
•
Synonyms
•
IUPAC name
Registration numbers
Properties
•
Physical Property
•
Safety Information
•
Product Information
Related Proteins
Molecular Spectra
Molecule Details
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Academic Data
PubChem
66178
Commercial Catalog
Alfa Aesar
L13462
Apollo Scientific
OR5380
Names and Identifiers
IUPAC Traditional name
2-[(trimethylsilyl)oxy]benzaldehyde
Synonyms
2-(Trimethylsilyloxy)benzaldehyde 97%
2-(三甲基硅氧基)苯甲醛
2-(Trimethylsiloxy)benzaldehyde
IUPAC name
2-[(trimethylsilyl)oxy]benzaldehyde
Registration numbers
CAS Number
1078-31-5
MDL Number
MFCD00040721
Beilstein Number
1939281
EC Number
214-081-7
PubChem SID
162076634
PubChem CID
66178
Properties
Physical Property
Density
1.013
Source
Boiling Point
116-118°C
Source
142°C/25mm
Source
Refractive Index
1.5095
Source
Safety Information
Storage Warning
Irritant/Air Sensitive/Moisture Sensitive/Store under Argon
Source
Air & Moisture Sensitive
Source
Safety Statements
26
-
37
Source
European Hazard Symbols
Irritant (Xi)
Source
GHS Precautionary statements
P280
-
P305+P351+P338
-
P302+P352
-
P321
-
P362
-
P332+P313
Source
Risk Statements
36/38
Source
GHS Hazard statements
H315
-
H319
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
TSCA Listed
否
Source
Product Information
Purity
97%
Source
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
MDL Number
•
Beilstein Number
•
EC Number
•
PubChem SID
•
PubChem CID