Molfinder
Home
Support
About Us
Data Source
Statistics
Blogs
Molecule
ID:89151
Structure
Similarity
Functional Group
Text
General Information
Structure
Loading...
Molecular Formula
C₁₀H₁₄O₂Si
Molecular Mass
194.30246
Exact Mass
194.07630622
Charge
0
InChI
InChI=1S/C10H14O2Si/c1-13(2,3)12-10-6-4-9(8-11)5-7-10/h4-8H,1-3H3
InChIKey
FLVQNLXVIRUAPB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)O[Si](C)(C)C
Isomeric Smiles
O(c1ccc(cc1)C=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
21.354446
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 name
•
Synonyms
•
IUPAC Traditional 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
70536
Commercial Catalog
Apollo Scientific
OR4648
Alfa Aesar
L13463
Names and Identifiers
IUPAC name
4-[(trimethylsilyl)oxy]benzaldehyde
Synonyms
4-(Trimethylsilyloxy)benzaldehyde 97%
4-三甲基硅氧基-苯甲醛
4-(Trimethylsiloxy)benzaldehyde
IUPAC Traditional name
4-[(trimethylsilyl)oxy]benzaldehyde
Registration numbers
MDL Number
MFCD00040723
CAS Number
1012-12-0
Beilstein Number
2085051
EC Number
213-789-3
PubChem SID
162076035
PubChem CID
70536
Properties
Physical Property
Boiling Point
124-126°C
Source
83-84°C/3mm
Source
Refractive Index
1.5180
Source
Safety Information
Storage Warning
Irritant
Source
Air & Moisture Sensitive
Source
GHS Precautionary statements
P280
-
P305+P351+P338
-
P302+P352
-
P321
-
P362
-
P332+P313
Source
TSCA Listed
否
Source
Risk Statements
36/38
Source
Safety Statements
23
-
26
-
37
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
European Hazard Symbols
Irritant (Xi)
Source
Product Information
Purity
97%
Source
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
MDL Number
•
CAS Number
•
Beilstein Number
•
EC Number
•
PubChem SID
•
PubChem CID