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97677-81-1

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Basic Information
CAS No.: 97677-81-1
Name: 2-(2-THIENYL)BENZOYL CHLORIDE
Article Data: 6
Molecular Structure:
Molecular Structure of 97677-81-1 (2-(2-THIENYL)BENZOYL CHLORIDE)
Formula: C11H7ClOS
Molecular Weight: 222.69
Synonyms: 2-(Thien-2-yl)benzoylchloride;
Density: 1.305 g/cm3
Boiling Point: 346.2 °C at 760 mmHg
Flash Point: 163.2 °C
Hazard Symbols: CorrosiveC
PSA: 45.31000
LogP: 3.79410
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Specification

The Benzoyl chloride,2-(2-thienyl)- is an organic compound with the formula C11H7ClOS. The systematic name of this chemical is 2-thiophen-2-ylbenzoyl chloride. With the CAS registry number 97677-81-1, it is also named as 2-(2-thienyl)benzoyl chloride.

Physical properties about Benzoyl chloride,2-(2-thienyl)- are: (1)ACD/LogP: 3.22; (2)ACD/LogD (pH 5.5): 3.22; (3)ACD/LogD (pH 7.4): 3.22; (4)ACD/BCF (pH 5.5): 165.34; (5)ACD/BCF (pH 7.4): 165.34; (6)ACD/KOC (pH 5.5): 1347.51; (7)ACD/KOC (pH 7.4): 1347.51; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 45.31 Å2; (11)Index of Refraction: 1.614; (12)Molar Refractivity: 59.47 cm3; (13)Molar Volume: 170.6 cm3; (14)Polarizability: 23.57×10-24cm3; (15)Surface Tension: 47.3 dyne/cm; (16)Density: 1.305 g/cm3; (17)Flash Point: 163.2 °C; (18)Enthalpy of Vaporization: 59.04 kJ/mol; (19)Boiling Point: 346.2 °C at 760 mmHg; (20)Vapour Pressure: 5.85E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c1ccccc1c2sccc2
(2)InChI: InChI=1/C11H7ClOS/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h1-7H
(3)InChIKey: JVOVWZAGQKKACR-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C11H7ClOS/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h1-7H
(5)Std. InChIKey: JVOVWZAGQKKACR-UHFFFAOYSA-N