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Molecule
Chlordane
CAS: 57-74-9 · C10H6Cl8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 57-74-9
- Molecular Formula
- C10H6Cl8
- Molecular Mass
- 409.78 g/mol
Identifiers
CAS Registry Number
57-74-9
SMILES
ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl
InChI Key
BIWJNBZANLAXMG-UHFFFAOYSA-N
InChI
InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2
Names and Synonyms
- Chlordane Synonym
- 4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro- Synonym
- 4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro- Synonym
- 1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene Synonym
- CD 68 Synonym
- M 140 Synonym
- Octachloro-4,7-methanotetrahydroindane Synonym
- 1,2,4,5,6,7,8,8-Octachloro-4,7-methano-3a,4,7,7a-tetrahydroindane Synonym
- 1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindane Synonym
- 1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane Synonym
- Tat Chlor 4 Synonym
- Toxichlor Synonym
- Chlorindan Synonym
- ENT 9932 Synonym
- HCS 3260 Synonym
- Cortilan-neu Synonym
- Dowchlor Synonym
- Oktaterr Synonym
- NSC 8931 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 409.78 g/mol | CAS Common Chemistry |
| 409.78200000000015 g/mol | RDKit | |
| 409.782 g/mol | RDKit | |
| 409.758 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlordane | CAS Common Chemistry |
| Canonical SMILES | ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BIWJNBZANLAXMG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 106 °C | CAS Common Chemistry |
| Name | 1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene | CAS Common Chemistry |
| Chlordane | CAS Common Chemistry | |
| Heavy Atom Count | 18 | 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 | 5.682800000000001 | RDKit |
| 5.6828 | RDKit | |
| Molar Refractivity | 81.21600000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 405.797771632 g/mol | RDKit |
| Boiling Point | 175 °C @ 1 Torr | CAS Common Chemistry |
| Density | 1.59-1.63 g/cm3 @ 25 °C | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 409.78 g/mol. Edit any field — others recompute live.
