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Chlordane
CAS: 57-74-9 | C10H6Cl8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57-74-9
Molecular Formula:
C10H6Cl8
Molecular Mass:
409.78 g/mol
Names and Synonyms:
Chlordane
4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-
4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-
1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene
CD 68
M 140
Octachloro-4,7-methanotetrahydroindane
1,2,4,5,6,7,8,8-Octachloro-4,7-methano-3a,4,7,7a-tetrahydroindane
1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindane
1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane
Tat Chlor 4
Toxichlor
Chlorindan
ENT 9932
HCS 3260
Cortilan-neu
Dowchlor
Oktaterr
NSC 8931
Identifiers:
SMILES:
ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl
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
Key Properties
Boiling Point
175 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
106 °C
CAS Common Chemistry
Density
1.59-1.63 g/cm3 @ Temp: 25 °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 | 409.78 g/mol | CAS Common Chemistry |
| 409.78200000000015 g/mol | RDKit | |
| 405.797771632 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlordane | CAS Common Chemistry |
| Boiling Point | 175 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl | CAS Common Chemistry |
| Density | 1.59-1.63 g/cm3 @ Temp: 25 °C | 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 |
| Molar Refractivity | 81.21600000000002 | RDKit |
