| Canonical Smiles | C1=CC(=CC(=C1)Cl)NN.OS(=O)(=O)O |
|---|---|
| IUPAC Name | (3-chlorophenyl)hydrazine;sulfuric acid |
| InChIKey | ZQMWFTLJZQAIHV-UHFFFAOYSA-N |
| INCHI | 1S/C6H7ClN2.H2O4S/c7-5-2-1-3-6(4-5)9-8;1-5(2,3)4/h1-4,9H,8H2;(H2,1,2,3,4) |
| Isomeric SMILES | C1=CC(=CC(=C1)Cl)NN.OS(=O)(=O)O |
| PubChem CID | 20542670 |
| Molecular Weight | 383.24 |
| Reaxy-Rn | 7106199 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylhydrazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylhydrazines |
| Alternative Parents | Chlorobenzenes Organic sulfuric acids Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Hydrazines and derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylhydrazine - Chlorobenzene - Halobenzene - Sulfuric acid - Aryl chloride - Aryl halide - Organic sulfuric acid or derivatives - Organonitrogen compound - Organohalogen compound - Hydrazine derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group. |
| External Descriptors | Not available |
| Sensitivity | Air Sensitive |
|---|---|
| Molecular Weight | 240.670 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 239.997 Da |
| Monoisotopic Mass | 239.997 Da |
| Topological Polar Surface Area | 121.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 168.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
