Thiocyanic acid, 4-chloro-2-nitrobenzyl ester
(4-chloro-2-nitrophenyl)methyl thiocyanate
Also Known As: 2-Nitro-4-chlorobenzylthiocyanate|Thiocyanic acid, 4-chloro-2-nitrobenzyl ester|(4-chloro-2-nitrophenyl)methyl thiocyanate|Thiocyanic acid, (4-chloro-2-nitrophenyl)methyl ester|THIOCYANIC ACID 4-CHLORO-2-NITROBENZYL ESTER|Thiocyanic acid (4-chloro-2-nitrophenyl)methyl ester|{[(4-chloro-2-nitrophenyl)methyl]sulfanyl}carbonitrile
CAS: 6803-36-7
| Molecular Formula | C8H5ClN2O2S |
|---|---|
| Molecular Weight | 227.97603 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.97603 |
| Monoisotopic Mass | 227.97603 |
| Heavy Atoms | 14 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 6803-36-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])CSC#N |
| InChIKey | YEEKANGTDBHSKW-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, 4-chloro-2-nitrobenzyl ester (CAS 6803-36-7), with molecular formula C8H5ClN2O2S and molecular weight 227.97603 g/mol. IUPAC: (4-chloro-2-nitrophenyl)methyl 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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