Thiocyanic acid, 4-nitrophenyl ester
(4-nitrophenyl) thiocyanate
Also Known As: 4-Nitrophenylthiocyanate|o-Nitro(thiocyano)benzene|(4-nitrophenyl) thiocyanate|p-nitrophenylthiocyanate|Thiocyanic acid, 4-nitrophenyl ester|1-nitro-4-thiocyanatobenzene|4-nitrophenyl thiocyanate|4-Nitro-phenyl-thiocyanat|THIOCYANIC ACID 4-NITROPHENYL ESTER|[(4-NITROPHENYL)SULFANYL]FORMONITRILE|HS-6702|4-06-00-01709 (Beilstein Handbook Reference)
CAS: 2137-92-0
| Molecular Formula | C7H4N2O2S |
|---|---|
| Molecular Weight | 179.99934 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.99934 |
| Monoisotopic Mass | 179.99934 |
| Heavy Atoms | 12 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 2137-92-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])SC#N |
| InChIKey | JDZYWJUTZURMKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Biotechnology (6 patents)
Heterocyclic Building Blocks (1 patents)
Peptides & Amino Acids (7 patents)
Pharmaceutical Intermediates (1 patents)
Product Overview
Thiocyanic acid, 4-nitrophenyl ester (CAS 2137-92-0), with molecular formula C7H4N2O2S and molecular weight 179.99934 g/mol. IUPAC: (4-nitrophenyl) thiocyanate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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