Hazard Codes | Xi |
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
Safty information about 3-Nitrothioanisole (CAS NO.2524-76-7) is:
Hazard Codes: Xi
HazardClass: IRRITANT, STENCH
3-Nitrothioanisole , its cas register number is 2524-76-7. It also can be called 1-(Methylthio)-3-nitrobenzene .
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