trans-1,4-Dichlorobutene
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CAS Number 110-57-6
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Catalog Number io-2151
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Classification Halogenated Organic Compounds
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Molecular Weight 124.9900
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SMILES C(C=CCCl)Cl
| Size | QTY | Notes | |
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1,4-Dichloro-2-butene can cause cancer according to The Environmental Protection Agency (EPA).
| 1 | trans-1,4-Dichloro-2-butene |
| 2 | 1,4-DICHLORO-2-BUTENE |
| 3 | 1,4-Dichlorobutene-2 |
| 4 | 2-Butene, 1,4-dichloro-, (2E)- |
| 5 | (E)-1,4-dichlorobut-2-ene |
| Molecular Formula | C4H6Cl2 |
|---|---|
| Canonical SMILES | C(C=CCCl)Cl |
| Isomeric SMILES | C(/C=C/CCl)Cl |
| Molecular Weight | 124.9900 |
| InChIKey | FQDIANVAWVHZIR-OWOJBTEDSA-N |
| InChI | InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+ |
| XLogP | 1.7000 |
| ExactMass | 123.9847 |
| MonoisotopicMass | 123.9847 |
| TPSA | 0.0000 |
| Complexity | 34.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 6 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 1 |
| DefinedBondStereoCount | 1 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 5027 |
| PatentFamilyCount | 2119 |
| LiteratureCount | 187 |
