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Name |
5-Nitrobenzothiophene |
EINECS | N/A |
CAS No. | 4965-26-8 | Density | 1.435g/cm3 |
PSA | 74.06000 | LogP | 3.33270 |
Solubility | N/A | Melting Point |
149-150 °C |
Formula | C8H5 N O2 S | Boiling Point | 324.558°C at 760 mmHg |
Molecular Weight | 179.199 | Flash Point | 150.088°C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Thianaphthene,5-nitro- (5CI); 5-Nitrobenzo[b]thiophene; 5-Nitrobenzothiophene |
Article Data | 18 |
Molecular Structure of 5-Nitrobenzothiophene (CAS NO.4965-26-8):
Systematic Name: 5-Nitro-1-benzothiophene
Molecular Formula: C8H5NO2S
Molecular Weight: 179.20
Mol File: 4965-26-8.mol
Nominal Mass: 179
Average Mass: 179.1958
Monoisotopic Mass: 179.004098
SMILES: [O-][N+](=O)c1cc2ccsc2cc1
InChI: InChI=1/C8H5NO2S/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
InChIKey: NOVKHIQVXQKSRL-UHFFFAOYAA
Std. InChI: InChI=1S/C8H5NO2S/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
Std. InChIKey: NOVKHIQVXQKSRL-UHFFFAOYSA-N
5-Nitrobenzothiophene (CAS NO.4965-26-8), its Synonyms are Thianaphthene,5-nitro- (5CI) ; 5-Nitrobenzo[beta]thiophene ; Benzo[beta]thiophene,5-nitro- .