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2,4-Dichlorobenzoyl Peroxide
CAS: 133-14-2 | C14H6Cl4O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
133-14-2
Molecular Formula:
C14H6Cl4O4
Molecular Mass:
380.01 g/mol
Names and Synonyms:
2,4-Dichlorobenzoyl Peroxide
Peroxide, bis(2,4-dichlorobenzoyl)
Bis(2,4-dichlorobenzoyl) peroxide
Cadox TS 50
2,4-Dichlorobenzoyl peroxide
o,o′,p,p′-Tetrachlorodibenzoyl peroxide
Siloprene CL 40
Cadox TS
Luperco CST
Cadox TDP
DCBP
TC 2 (peroxide)
TC 2
C 2
C 2 (crosslinking agent)
Chaloxyd DCLBP 50PSI
Perkadox PD 50S
DCLBP 50PSI
Elastosil AUX Crosslinker E
2,4-Dichlorobibenzoyl peroxide
Elastosil AUX-E
Varox DCBP 50
Perkadox PD 50S-PS
Di(2,4-dichlorobenzoyl)peroxide
2,4-Dichlorobenzoyl 2,4-dichlorobenzene-1-carboperoxoate
Identifiers:
SMILES:
O=C(OOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChI:
InChI=1S/C14H6Cl4O4/c15-7-1-3-9(11(17)5-7)13(19)21-22-14(20)10-4-2-8(16)6-12(10)18/h1-6H
Key Properties
Melting Point
106 °C
CAS Common Chemistry
Density
1.26 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 | 380.01 g/mol | CAS Common Chemistry |
| 380.0100000000001 g/mol | RDKit | |
| 377.902019392 g/mol | RDKit | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.260 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(OOC(=O)C1=CC=C(Cl)C=C1Cl)C2=CC=C(Cl)C=C2Cl | CAS Common Chemistry |
| InChI | InChI=1S/C14H6Cl4O4/c15-7-1-3-9(11(17)5-7)13(19)21-22-14(20)10-4-2-8(16)6-12(10)18/h1-6H | CAS Common Chemistry |
| InChI Key | InChIKey=WRXCBRHBHGNNQA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 106 °C | CAS Common Chemistry |
| Name | 2,4-Dichlorobenzoyl peroxide | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 5.229000000000002 | RDKit |
| Molar Refractivity | 83.75500000000001 | RDKit |
