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Cas Database |
| Name |
3-Nitrothioanisole |
EINECS | 219-761-7 | ||
| CAS No. | 2524-76-7 | Density | 1.27g/cm3 | ||
| PSA | 71.12000 | LogP | 2.83990 | ||
| Solubility | N/A | Melting Point |
14 °C |
||
| Formula | C7H7 N O2 S | Boiling Point | 92 °C / 1mmHg | ||
| Molecular Weight | 169.204 | Flash Point | 112.6°C | ||
| Transport Information | N/A | Appearance | N/A | ||
| Safety |
|
Risk Codes | N/A | ||
| Molecular Structure |
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Hazard Symbols |
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| Synonyms |
Sulfide,methyl m-nitrophenyl (6CI,7CI,8CI); 1-(Methylsulfanyl)-3-nitrobenzene;1-(Methylthio)-3-nitrobenzene; 3-Nitrothioanisole; Methyl 3-nitrophenylsulfide; Methyl m-nitrophenyl sulfide; NSC 53644; m-Nitrophenyl methyl sulfide;m-Nitrothioanisole |
Article Data | 29 |
3-Nitrothioanisole Chemical Properties
Molecular structure of 3-Nitrothioanisole (CAS NO.2524-76-7) is:
Product Name: 3-Nitrothioanisole
CAS Registry Number: 2524-76-7
IUPAC Name: 1-Methylsulfanyl-3-nitrobenzene
Molecular Weight: 169.20098 [g/mol]
Molecular Formula: C7H7NO2S
XLogP3: 2.5
H-Bond Donor: 0
H-Bond Acceptor: 2
EINECS: 219-761-7
Melting Point: 14 °C
Index of Refraction: 1.601
Molar Refractivity: 45.42 cm3
Molar Volume: 132.4 cm3
Surface Tension: 50.4 dyne/cm
Density: 1.27 g/cm3
Flash Point: 112.6 °C
Enthalpy of Vaporization: 48.02 kJ/mol
Boiling Point: 262.6 °C at 760 mmHg
Vapour Pressure: 0.0176 mmHg at 25 °C
Canonical SMILES: CSC1=CC=CC(=C1)[N+](=O)[O-]
InChI: InChI=1S/C7H7NO2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
InChIKey: GBGVXOUUXAIELM-UHFFFAOYSA-N
3-Nitrothioanisole Safety Profile
Safty information about 3-Nitrothioanisole (CAS NO.2524-76-7) is:
Hazard Codes: 
Xi
HazardClass: IRRITANT, STENCH
3-Nitrothioanisole Specification
3-Nitrothioanisole , its cas register number is 2524-76-7. It also can be called 1-(Methylthio)-3-nitrobenzene .
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