Products Categories
CAS No.: | 135-00-2 |
---|---|
Name: | 2-BENZOYLTHIOPHENE |
Article Data: | 242 |
Molecular Structure: | |
Formula: | C11H8OS |
Molecular Weight: | 188.25 |
Synonyms: | Ketone,phenyl 2-thienyl (6CI,7CI,8CI);2-Benzoylthiophene;2-Thienyl phenyl ketone;NSC 4502;Phenyl 2-thienyl ketone;Phenyl(2-thienyl)methanone;a-Benzoylthiophene; |
EINECS: | 205-169-6 |
Density: | 1.199 g/cm3 |
Melting Point: | 56-58 °C(lit.) |
Boiling Point: | 299.999 °C at 760 mmHg |
Flash Point: | 139.735 °C |
Appearance: | off-white to tan powder |
PSA: | 45.31000 |
LogP: | 2.97910 |
The Methanone,phenyl-2-thienyl-, with CAS registry number 135-00-2, belongs to the following product categories: (1)Heterocyclic Compounds; (2)Building Blocks; (3)Heterocyclic Building Blocks; (4)Thiophenes. It has the systematic name of phenyl(thiophen-2-yl)methanone. This chemical is a kind of off-white to tan powder. The main use of this chemical is for organic synthesis. And the chemical formula of this chemical is C11H8OS. What's more, its EINECS is 205-169-6.
Physical properties of Methanone,phenyl-2-thienyl-: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 87.52; (6)ACD/BCF (pH 7.4): 87.52; (7)ACD/KOC (pH 5.5): 854.59; (8)ACD/KOC (pH 7.4): 854.59; (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: 1.609; (14)Molar Refractivity: 54.43 cm3; (15)Molar Volume: 157 cm3; (16)Polarizability: 21.57×10-24cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.198 g/cm3; (19)Flash Point: 139.7 °C; (20)Enthalpy of Vaporization: 54 kJ/mol; (21)Boiling Point: 300 °C at 760 mmHg; (22)Vapour Pressure: 0.00115 mmHg at 25°C.
Preparation: this chemical can be prepared by thiophene and benzoyl chloride. This reaction will need reagent aluminium chloride.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)c2sccc2
(2)InChI: InChI=1/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H
(3)InChIKey: DWYFUJJWTRPARQ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H
(5)Std. InChIKey: DWYFUJJWTRPARQ-UHFFFAOYSA-N