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4-(Phenylthio)benzyl alcohol

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Name

4-(Phenylthio)benzyl alcohol

EINECS 228-658-6
CAS No. 6317-56-2 Density 1.21 g/cm3
PSA 45.53000 LogP 3.33010
Solubility N/A Melting Point 46-48 °C
Formula C13H12OS Boiling Point 390.2 °C at 760 mmHg
Molecular Weight 216.304 Flash Point 189.6 °C
Transport Information N/A Appearance Pale beige solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6317-56-2 (p-(phenylthio)benzyl alcohol) Hazard Symbols N/A
Synonyms

[4-(Phenylsulfanyl)phenyl]methanol;

Article Data 12

4-(Phenylthio)benzyl alcohol Chemical Properties

IUPAC Name: (4-Phenylsulfanylphenyl)methanol
Synonyms of (4-Phenylsulfanylphenyl)methanol (CAS NO.6317-56-2): [4-(phenylsulfanyl)phenyl]methanol
CAS NO: 6317-56-2
Molecular Formula: C13H12OS
Molecular Weight: 216.29878
Molecular Structure:
EINECS: 228-658-6
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 34.53 Å2
Index of Refraction: 1.658
Molar Refractivity: 65.63 cm3
Molar Volume: 178 cm3
Surface Tension: 55 dyne/cm
Density: 1.21 g/cm3
Flash Point: 189.6 °C
Enthalpy of Vaporization: 67.47 kJ/mol
Boiling Point: 390.2 °C at 760 mmHg
Vapour Pressure: 8.66E-07 mmHg at 25°C 
SMILES: S(c1ccccc1)c2ccc(cc2)CO
InChI: InChI=1/C13H12OS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9,14H,10H2
InChIKey: PGOAWMRWDZJQTB-UHFFFAOYAA
Std. InChI: InChI=1S/C13H12OS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9,14H,10H2
Std. InChIKey: PGOAWMRWDZJQTB-UHFFFAOYSA-N

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