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16939-04-1

Basic Information
CAS No.: 16939-04-1
Name: (4-THIEN-2-YLPHENYL)METHANOL
Article Data: 86
Molecular Structure:
Molecular Structure of 16939-04-1 ((4-THIEN-2-YLPHENYL)METHANOL)
Formula: C11H10OS
Molecular Weight: 174.266
Synonyms: Thiophene,2-p-tolyl- (7CI,8CI);2-(4-Methylphenyl)thiophene;2-(4-Tolyl)thiophene;2-p-Tolylthiophene;
Density: 1.204 g/cm3
Boiling Point: 338.5 °C at 760 mmHg
Flash Point: 158.5 °C
Risk Codes:  Harmful:;
">  Harmful:;
PSA: 48.47000
LogP: 2.90740
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Specification

The Thiophene,2-(4-methylphenyl)- is an organic compound with the formula C11H10OS. The systematic name of this chemical is (4-Thiophen-2-ylphenyl)methanol. With the CAS registry number 16939-04-1, it is also named as 4-(Thien-2-yl)benzyl alcohol. Besides, it should be stored at room temperature.

Physical properties about Thiophene,2-(4-methylphenyl)- are: (1)ACD/LogP: 2.60; (2)ACD/LogD (pH 5.5): 2.6; (3)ACD/LogD (pH 7.4): 2.6; (4)ACD/BCF (pH 5.5): 55.39; (5)ACD/BCF (pH 7.4): 55.39; (6)ACD/KOC (pH 5.5): 616.01; (7)ACD/KOC (pH 7.4): 616.01; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 37.47 Å2; (12)Index of Refraction: 1.622; (13)Molar Refractivity: 55.68 cm3; (14)Molar Volume: 158 cm3; (15)Polarizability: 22.07×10-24 cm3; (16)Surface Tension: 48.6 dyne/cm; (17)Density: 1.204 g/cm3; (18)Flash Point: 158.5 °C; (19)Enthalpy of Vaporization: 61.42 kJ/mol; (20)Boiling Point: 338.5 °C at 760 mmHg; (21)Vapour Pressure: 3.8E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H10OS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7,12H,8H2
(2)InChIKey: KHZSWSHUIYOMSH-UHFFFAOYAL
(3)Std. InChI: InChI=1S/C11H10OS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7,12H,8H2
(4)Std. InChIKey: KHZSWSHUIYOMSH-UHFFFAOYSA-N