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3515-30-8

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Basic Information
CAS No.: 3515-30-8
Name: [2,2']BITHIOPHENYL-5-YL-METHANOL
Article Data: 1
Cas Database
Molecular Structure:
Molecular Structure of 3515-30-8 ([2,2']BITHIOPHENYL-5-YL-METHANOL)
Formula: C9H8OS2
Molecular Weight: 196.294
Synonyms: (2,2'-Bithien-5-yl)methanol;2-Thiophenemethanol, 5-(2-thienyl)-;5-(2-Thienyl)-2-(hydroxymethyl)thiophene;5-Hydroxymethyl-2,2'-bithiophene;
Density: 1.33g/cm3
Melting Point: 51 °C
Boiling Point: 327.2 °C at 760 mmHg
Flash Point: 151.7 °C
Hazard Symbols: IrritantXi
Risk Codes: 41
Safety: 24/25
PSA: 76.71000
LogP: 2.96890
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Specification

The [2,2'-Bithiophene]-5-methanol, with CAS registry number 3515-30-8, has the systematic name of 2,2'-bithiophen-5-ylmethanol. Besides this, it is also called 5-(Hydroxymethyl)-[2,2']-bithiophene. And the chemical formula of this chemical is C9H8OS2. When use this chemical, avoid contact with skin and eyes.

Physical properties of [2,2'-Bithiophene]-5-methanol: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 39.36; (6)ACD/BCF (pH 7.4): 39.36; (7)ACD/KOC (pH 5.5): 482.32; (8)ACD/KOC (pH 7.4): 482.32; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 65.71 Å2; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 54.06 cm3; (15)Molar Volume: 147.4 cm3; (16)Polarizability: 21.43×10-24cm3; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 151.7 °C; (20)Enthalpy of Vaporization: 60.11 kJ/mol; (21)Boiling Point: 327.2 °C at 760 mmHg; (22)Vapour Pressure: 8.32E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: s2c(c1sc(cc1)CO)ccc2
(2)InChI: InChI=1/C9H8OS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5,10H,6H2
(3)InChIKey: PUWTXRUXHPHFSQ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H8OS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5,10H,6H2
(5)Std. InChIKey: PUWTXRUXHPHFSQ-UHFFFAOYSA-N