3,3'-Dichlorobenzidine dihydrochloride
CAS: 612-83-9
| 1 | 3,3'-DICHLOROBENZIDINE DIHYDROCHLORIDE |
| 2 | 3,3'-Dichlorobenzidine 2HCl |
| 3 | 3,3'-Dichlorobenzidine.2HCl |
| 4 | Benzidine, 3,3'-dichloro-, dihydrochloride |
| 5 | DTXSID1020433 |
3,3'-Dichlorobenzidine Dihydrochloride can cause cancer according to The National Toxicology Program.
| Molecular Formula | C12H12Cl4N2 |
|---|---|
| Canonical SMILES | C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl |
| Isomeric SMILES | C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl |
| Molecular Weight | 326.0000 |
| InChIKey | BXAONUZFBUNTQR-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H |
| XLogP | 0.0000 |
| ExactMass | 325.9725 |
| MonoisotopicMass | 323.9755 |
| TPSA | 52.0000 |
| Complexity | 213.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 4 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 18 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 3 |
| PatentCount | 158 |
| PatentFamilyCount | 45 |
| LiteratureCount | 24 |