-
Name
5-Nitrobenzothiophene
- EINECS
- CAS No. 4965-26-8
- Article Data18
- CAS DataBase
- Density 1.435g/cm3
- Solubility
- 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
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Thianaphthene,5-nitro- (5CI); 5-Nitrobenzo[b]thiophene; 5-Nitrobenzothiophene
- PSA 74.06000
- LogP 3.33270
5-Nitrobenzothiophene Chemical Properties
Molecular Structure of 5-Nitrobenzothiophene (CAS NO.4965-26-8):
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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 Specification
5-Nitrobenzothiophene (CAS NO.4965-26-8), its Synonyms are Thianaphthene,5-nitro- (5CI) ; 5-Nitrobenzo[beta]thiophene ; Benzo[beta]thiophene,5-nitro- .
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