Dichloroethyl ether
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CAS Number 111-44-4
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Catalog Number io-2160
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Classification Ethers
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Molecular Weight 143.0100
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SMILES C(CCl)OCCCl
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Bis(2-chloroethyl) Ether can cause cancer according to an independent committee of scientific and health experts.
| 1 | 2,2'-Dichlorodiethyl ether |
| 2 | BIS(2-CHLOROETHYL) ETHER |
| 3 | 2-Chloroethyl ether |
| 4 | Bis(2-chloroethyl)ether |
| 5 | DCEE |
| Molecular Formula | C4H8Cl2O |
|---|---|
| Canonical SMILES | C(CCl)OCCCl |
| Isomeric SMILES | C(CCl)OCCCl |
| Molecular Weight | 143.0100 |
| InChIKey | ZNSMNVMLTJELDZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2 |
| XLogP | 1.3000 |
| ExactMass | 141.9952 |
| MonoisotopicMass | 141.9952 |
| TPSA | 9.2000 |
| Complexity | 28.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 7 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 18415 |
| PatentFamilyCount | 7454 |
| LiteratureCount | 540 |
