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Mirex
CAS: 2385-85-5 | C10Cl12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2385-85-5
Molecular Formula:
C10Cl12
Molecular Mass:
545.55 g/mol
Names and Synonyms:
Mirex
1,3,4-Metheno-1H-cyclobuta[cd]pentalene, 1,1a,2,2,3,3a,4,5,5,5a,5b,6-dodecachlorooctahydro-
1,3,4-Metheno-1H-cyclobuta[cd]pentalene, dodecachlorooctahydro-
1,1a,2,2,3,3a,4,5,5,5a,5b,6-Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta[cd]pentalene
GC 1283
ENT 25719
Mirex
Perchloropentacyclo[5.2.1.02,6.03,9.05,8]decane
1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-, dimer
Dechlorane
Hexachlorocyclopentadiene dimer
Perchloropentacyclodecane
Perchlorodihomocubane
Dodecachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalene
Dechlorane 4070
Paramex
Dodecachlor
Dodecaclor
Perchloropentacyclo[5.3.0.02,6.03,9.04,8]decane
NSC 124102
NSC 26107
NSC 37656
Perchlorodecone
Identifiers:
SMILES:
ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl
InChI:
InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18
Key Properties
Melting Point
485 °C
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 | 545.55 g/mol | CAS Common Chemistry |
| 545.5460000000003 g/mol | RDKit | |
| 539.62623216 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Mirex | CAS Common Chemistry |
| Canonical SMILES | ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl | CAS Common Chemistry |
| InChI | InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18 | CAS Common Chemistry |
| InChI Key | InChIKey=GVYLCNUFSHDAAW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 485 °C | CAS Common Chemistry |
| Name | Mirex | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.222999999999999 | RDKit |
| Molar Refractivity | 97.54599999999998 | RDKit |
