3,3'-Dichlorobenzidine sulfate
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CAS Number 64969-34-2
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Catalog Number io-2148
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Classification Aryl Halides
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Molecular Weight 449.3000
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SMILES C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.OS(=O)(=O)O.OS(=O)(=O)O
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | 3,3'-DICHLOROBENZIDINE SULFATE |
| 2 | EINECS 265-293-1 |
| 3 | 3,3'-Dichlorobenzidine dihydrogen bis(sulphate) |
| 4 | (1,1'-Biphenyl)-4,4'-diamine, 3,3'-dichloro-, sulfate (1:2) |
| 5 | [1,1'-Biphenyl]-4,4'-diamine, 3,3'-dichloro-, sulfate (1:2) |
| Molecular Formula | C12H14Cl2N2O8S2 |
|---|---|
| Canonical SMILES | C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.OS(=O)(=O)O.OS(=O)(=O)O |
| Isomeric SMILES | C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.OS(=O)(=O)O.OS(=O)(=O)O |
| Molecular Weight | 449.3000 |
| InChIKey | PMZNABNRKYMIKT-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H10Cl2N2.2H2O4S/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;2*1-5(2,3)4/h1-6H,15-16H2;2*(H2,1,2,3,4) |
| XLogP | 0.0000 |
| ExactMass | 447.9569 |
| MonoisotopicMass | 447.9569 |
| TPSA | 218.0000 |
| Complexity | 294.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 6 |
| HBondAcceptorCount | 10 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 26 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 3 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |
