Molfinder
Home
Support
About Us
Data Source
Statistics
Blogs
Molecule
ID:64784
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₁H₁₃ClSi
Molecular Mass
208.75942
Exact Mass
208.04750463
Charge
0
InChI
InChI=1S/C11H13ClSi/c1-13(2,3)9-8-10-4-6-11(12)7-5-10/h4-7H,1-3H3
InChIKey
HVIHXUCWKNRJTC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C#C[Si](C)(C)C
Isomeric Smiles
c1c(ccc(c1)C#C[Si](C)(C)C)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5638
LogD (pH = 7.4)
4.5638
Log P
4.5638
Molar Refractivity
51.0994
Polarizability
23.21933
Polar Surface Area
0.0
Rotatable Bonds
2
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
Loading...
References
Loading...
Bioactivity
Loading...
Quote
Download
Navigation
General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Academic Data
•
Commercial Catalog
Names and Identifiers
•
Synonyms
•
IUPAC name
•
IUPAC Traditional name
Registration numbers
•
MDL Number
•
PubChem SID
•
CAS Number
•
PubChem CID
Properties
•
Product Information
•
Safety Information
•
Physical Property
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Academic Data
PubChem
3337298
Commercial Catalog
Sigma Aldrich
563447
Matrix Scientific
070113
Names and Identifiers
Synonyms
(4-Chlorophenylethynyl)trimethylsilane
(4-Chlorophenylethynyl)trimethylsilane
(4-氯苯乙炔基)三甲基硅烷
IUPAC name
[2-(4-chlorophenyl)ethynyl]trimethylsilane
IUPAC Traditional name
[2-(4-chlorophenyl)ethynyl]trimethylsilane
Registration numbers
MDL Number
MFCD03427267
PubChem SID
24880100
162030523
CAS Number
78704-49-1
PubChem CID
3337298
Molecule Details
Sigma Aldrich
563447
Packaging
5 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Properties
Product Information
Purity
97%
Source
Linear Formula
C6H4ClC≡CSi(CH3)3
Source
Safety Information
MSDS Link
Download link
Source
Download link
Source
IRRITANT
Source
false
Source
3
Source
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Source
Physical Property
47-51 °C(lit.)
Source
219.2 °F
Source
104 °C
Source
Storage Warning
TSCA Listed
German water hazard class
Personal Protective Equipment
Melting Point
Flash Point