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4-Chlorophenyl Disulfide
CAS: 1142-19-4 | C12H8Cl2S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1142-19-4
Molecular Formula:
C12H8Cl2S2
Molecular Mass:
287.24 g/mol
Names and Synonyms:
4-Chlorophenyl Disulfide
Disulfide, bis(4-chlorophenyl)
Disulfide, bis(p-chlorophenyl)
Bis(4-chlorophenyl) disulfide
Bis(p-chlorophenyl) disulfide
DDDS
4,4′-Dichlorodiphenyl disulfide
p-Chlorophenyl disulfide
Di(p-chlorophenyl) disulfide
p,p′-Dichlorodiphenyl disulfide
DDDS (pesticide)
4-Chlorophenyl disulfide
NSC 32025
MCS
MCS (sulfide)
NSC 677444
Bis-(4-chlorobenzene)-disulfide
Di(4-chlorophenyl) disulfide
1,2-Bis(4-chlorophenyl)disulfane
1-Chloro-4-[(4-chlorophenyl)disulfanyl]benzene
Identifiers:
SMILES:
Clc1ccc(SSc2ccc(Cl)cc2)cc1
InChI:
InChI=1S/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H
Key Properties
Boiling Point
141 °C @ Press: 0.4 Torr
CAS Common Chemistry
Melting Point
68 °C
CAS Common Chemistry
Density
1.30 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 | 287.24 g/mol | CAS Common Chemistry |
| 287.236 g/mol | RDKit | |
| 285.944447616 g/mol | RDKit | |
| Density | 1.30 g/cm³ | CAS Common Chemistry |
| 1.304 g/cm3 @ Temp: 102.3 °C | CAS Common Chemistry | |
| Boiling Point | 141 °C @ Press: 0.4 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(SSC2=CC=C(Cl)C=C2)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=ZIXXRXGPBFMPFD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 68 °C | CAS Common Chemistry |
| Name | 4-Chlorophenyl disulfide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.792800000000002 | RDKit |
| Molar Refractivity | 74.61800000000002 | RDKit |
