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Molecule
2,4-Dichlorobenzoyl Peroxide
CAS: 133-14-2 · C14H6Cl4O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 133-14-2
- Molecular Formula
- C14H6Cl4O4
- Molecular Mass
- 380.01 g/mol
Identifiers
CAS Registry Number
133-14-2
SMILES
O=C(OOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChI Key
WRXCBRHBHGNNQA-UHFFFAOYSA-N
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
Names and Synonyms
- 2,4-Dichlorobenzoyl Peroxide Synonym
- Peroxide, bis(2,4-dichlorobenzoyl) Synonym
- Bis(2,4-dichlorobenzoyl) peroxide Synonym
- Cadox TS 50 Synonym
- 2,4-Dichlorobenzoyl peroxide Synonym
- o,o′,p,p′-Tetrachlorodibenzoyl peroxide Synonym
- Siloprene CL 40 Synonym
- Cadox TS Synonym
- Luperco CST Synonym
- Cadox TDP Synonym
- DCBP Synonym
- TC 2 (peroxide) Synonym
- TC 2 Synonym
- C 2 Synonym
- C 2 (crosslinking agent) Synonym
- Chaloxyd DCLBP 50PSI Synonym
- Perkadox PD 50S Synonym
- DCLBP 50PSI Synonym
- Elastosil AUX Crosslinker E Synonym
- 2,4-Dichlorobibenzoyl peroxide Synonym
- Elastosil AUX-E Synonym
- Varox DCBP 50 Synonym
- Perkadox PD 50S-PS Synonym
- Di(2,4-dichlorobenzoyl)peroxide Synonym
- 2,4-Dichlorobenzoyl 2,4-dichlorobenzene-1-carboperoxoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 380.01 g/mol | CAS Common Chemistry |
| 380.0100000000001 g/mol | RDKit | |
| 379.998 g/mol | chempirical lib | |
| 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 |
| 5.229 | RDKit | |
| Molar Refractivity | 83.75500000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 377.902019392 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 380.01 g/mol; density = 1.260 g/mL. Edit any field — others recompute live.
