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58861-48-6

Basic Information
CAS No.: 58861-48-6
Name: Thiophene,2-(4-fluorophenyl)-
Molecular Structure:
Molecular Structure of 58861-48-6 (Thiophene,2-(4-fluorophenyl)-)
Formula: C10H7FS
Molecular Weight: 178.23
Synonyms: 2-(4-Fluorophenyl)thiophene;
EINECS: 611-756-1
Density: 1.201 g/cm3
Melting Point: 51.0 to 55.0 °C
Boiling Point: 252.316 °C at 760 mmHg
Flash Point: 106.397 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 28.24000
LogP: 3.55420
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    58861-48-6

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Specification

The 2-(4-Fluorophenyl)thiophene with the CAS number 58861-48-6 is also called Thiophene,2-(4-fluorophenyl)-. Its molecular formula is C10H7FS. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 2-(4-Fluorophenyl)thiophene are: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 391; (6)ACD/BCF (pH 7.4): 391; (7)ACD/KOC (pH 5.5): 2497; (8)ACD/KOC (pH 7.4): 2497; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.24 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 49.223 cm3; (15)Molar Volume: 148.407 cm3; (16)Polarizability: 19.513×10-24cm3; (17)Surface Tension: 39.02 dyne/cm; (18)Enthalpy of Vaporization: 46.986 kJ/mol; (19)Vapour Pressure: 0.031 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)c2cccs2
(2)InChI: InChI=1/C10H7FS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
(3)InChIKey: PURJRGMZIKXDMW-UHFFFAOYAA