Ethanone,1-[4-(2-thienyl)phenyl]- supplier

Name
1-(4-THIOPHEN-2-YL-PHENYL)-ETHANONE
EINECS
CAS No. 35294-37-2
Article Data59
CAS DataBase
Density 1.151 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₀OS
Boiling Point 323 °C at 760 mmHg
Molecular Weight 202.277
Flash Point 149.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(4-Acetylphenyl)thiophene;4'-(2-Thienyl)acetophenone;1-[4-(2-Thienyl)phenyl]ethanone;1-(4-Thien-2-ylphenyl)ethanone;
PSA 45.31000
LogP 3.61770

Ethanone,1-[4-(2-thienyl)phenyl]- Specification

The Ethanone,1-[4-(2-thienyl)phenyl]-, with the CAS registry number 35294-37-2, is also known as 2-(4-Acetylphenyl)thiophene. This chemical's molecular formula is C₁₂H₁₀OS and molecular weight is 202.27. What's more, its systematic name is 1-(4-thiophen-2-ylphenyl)ethanone.

Physical properties of Ethanone,1-[4-(2-thienyl)phenyl]- are: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/LogD (pH 7.4): 3.32; (5)ACD/BCF (pH 5.5): 195.04; (6)ACD/BCF (pH 7.4): 195.04; (7)ACD/KOC (pH 5.5): 1516.64; (8)ACD/KOC (pH 7.4): 1516.64; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.31 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 59.25 cm³; (15)Molar Volume: 175.7 cm³; (16)Polarizability: 23.49×10^-24cm³; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.151 g/cm³; (19)Flash Point: 149.1 °C; (20)Enthalpy of Vaporization: 56.48 kJ/mol; (21)Boiling Point: 323 °C at 760 mmHg; (22)Vapour Pressure: 0.00027 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2ccc(c1sccc1)cc2)C
(2)InChI: InChI=1S/C12H10OS/c1-9(13)10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8H,1H3
(3)InChIKey: VZCHCIWHJLPPNF-UHFFFAOYSA-N

Product Name

1-(4-THIOPHEN-2-YL-PHENYL)-ETHANONE

Ethanone,1-[4-(2-thienyl)phenyl]- Specification

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