Molecular Structure of Benzene,1-iodo-4-(methylthio)- (CAS NO.35371-03-0):
Empirical Formula: C7H7IS
Molecular Weight: 250.0999
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 25.3 Å2
Index of Refraction: 1.67
Molar Refractivity: 52.31 cm3
Molar Volume: 139.9 cm3
Surface Tension: 48.8 dyne/cm
Density: 1.78 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
Melting point: 40 °C
SMILES: Ic1ccc(SC)cc1
InChI: InChI=1/C7H7IS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Benzene,1-iodo-4-(methylthio)- , with CAS number of 35371-03-0, can be called 1-Iodo-4-(methylsulfanyl)benzene ; 4-Iodophenyl methyl sulfide .
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