CAS No.135-00-2,2-BENZOYLTHIOPHENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	135-00-2
Name:	2-BENZOYLTHIOPHENE
Article Data:	242

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

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Specification

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