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Tetradifon
CAS: 116-29-0 | C12H6Cl4O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
116-29-0
Molecular Formula:
C12H6Cl4O2S
Molecular Mass:
356.06 g/mol
Names and Synonyms:
Tetradifon
Benzene, 1,2,4-trichloro-5-[(4-chlorophenyl)sulfonyl]-
Sulfone, p-chlorophenyl 2,4,5-trichlorophenyl
1,2,4-Trichloro-5-[(4-chlorophenyl)sulfonyl]benzene
V 18
p-Chlorophenyl 2,4,5-trichlorophenyl sulfone
Duphar
Tedion
2,4,4′,5-Tetrachlorodiphenyl sulfone
Tedion V 18
Tetradifon
Tetradiphon
Mition
Roztoczol
Aredion
Akaritox
Polacaritox
Roztoczol extra
Identifiers:
SMILES:
O=S(=O)(c1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl
InChI:
InChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H
Key Properties
Melting Point
146.5-147.5 °C
CAS Common Chemistry
Density
1.15 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 356.06 g/mol | CAS Common Chemistry |
| 356.057 g/mol | RDKit | |
| 353.884261152 g/mol | RDKit | |
| Density | 1.15 g/cm³ | CAS Common Chemistry |
| 1.151 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetradifon | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(C1=CC=C(Cl)C=C1)C2=CC(Cl)=C(Cl)C=C2Cl | CAS Common Chemistry |
| InChI | InChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H | CAS Common Chemistry |
| InChI Key | InChIKey=MLGCXEBRWGEOQX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 146.5-147.5 °C | CAS Common Chemistry |
| Name | Tetradifon | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 5.133000000000001 | RDKit |
| Molar Refractivity | 78.37580000000001 | RDKit |
