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16331-52-5

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Basic Information
CAS No.: 16331-52-5
Name: 9-ANTHRACENECARBONYL CHLORIDE
Article Data: 56
Molecular Structure:
Molecular Structure of 16331-52-5 (9-ANTHRACENECARBONYL CHLORIDE)
Formula: C15H9ClO
Molecular Weight: 240.689
Synonyms: 9-Anthroylchloride (8CI);9-(Chlorocarbonyl)anthracene;9-Anthracenoyl chloride;9-Anthranoyl chloride;Anthracene-9-carboxylic acid chloride;
Density: 1.307 g/cm3
Melting Point: 51 °C
Boiling Point: 410.5 °C at 760 mmHg
Flash Point: 200.8 °C
PSA: 17.07000
LogP: 4.37200
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Specification

The 9-Anthracenecarbonylchloride is an organic compound with the formula C15H9ClO. The IUPAC name of this chemical is Anthracene-9-carbonyl chloride. And the CAS registry number of this chemical is 16331-52-5. Besides, its molecular weight is 240.68.

Physical properties about 9-Anthracenecarbonylchloride are: (1)ACD/LogP: 4.67; (2)ACD/LogD (pH 5.5): 4.67; (3)ACD/LogD (pH 7.4): 4.67; (4)ACD/BCF (pH 5.5): 2088.64; (5)ACD/BCF (pH 7.4): 2088.64; (6)ACD/KOC (pH 5.5): 8278.58; (7)ACD/KOC (pH 7.4): 8278.58; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.713; (12)Molar Refractivity: 72.18 cm3; (13)Molar Volume: 184 cm3; (14)Polarizability: 28.61×10-24 cm3; (15)Surface Tension: 53.9 dyne/cm; (16)Density: 1.307 g/cm3; (17)Flash Point: 200.8 °C; (18)Enthalpy of Vaporization: 66.28 kJ/mol; (19)Boiling Point: 410.5 °C at 760 mmHg; (20)Vapour Pressure: 6.02E-07 mmHg at 25 °C.

Uses of 9-Anthracenecarbonylchloride: it can be used to produce Anthracen-9-yl-tetrazol-1-yl-methanone at ambient temperature. It will need reagent Et3N and solvent Tetrahydrofuran with reaction time of 1 hour. The yield is about 85%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C15H9ClO/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
(2)InChIKey: REJFOBQJXSGDSB-UHFFFAOYAN
(3)Std. InChI: InChI=1S/C15H9ClO/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
(4)Std. InChIKey: REJFOBQJXSGDSB-UHFFFAOYSA-N