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Basic Information
CAS No.: 2524-76-7
Name: 3-NITRO THIOANISOLE
Article Data: 29
Molecular Structure:
Molecular Structure of 2524-76-7 (3-NITRO THIOANISOLE)
Formula: C7H7 N O2 S
Molecular Weight: 169.204
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
EINECS: 219-761-7
Density: 1.27g/cm3
Melting Point: 14 °C
Boiling Point: 92 °C / 1mmHg
Flash Point: 112.6°C
Hazard Symbols:
Safety:
Hazard Codes Xi
PSA: 71.12000
LogP: 2.83990
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Chemistry

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

Safety Profile

Safty information about 3-Nitrothioanisole (CAS NO.2524-76-7) is:
Hazard Codes: IrritantXi
HazardClass: IRRITANT, STENCH

Specification

 3-Nitrothioanisole , its cas register number is 2524-76-7. It also can be called 1-(Methylthio)-3-nitrobenzene .