CAS No.3264-21-9,1-ACETYLPYRENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3264-21-9
Name:	1-ACETYLPYRENE
Article Data:	3

Formula:	C₁₈H₁₂O
Molecular Weight:	244.293
Synonyms:	Ketone,methyl 1-pyrenyl (6CI,7CI,8CI);1-Acetylpyrene;Methyl 1-pyrenyl ketone;NSC62422;
Density:	1.262 g/cm³
Melting Point:	86-89 °C(lit.)
Boiling Point:	437.7 °C at 760 mmHg
Flash Point:	195.6 °C
PSA:	17.07000
LogP:	4.78660

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Specification

The Ethanone,1-(1-pyrenyl)- is an organic compound with the formula C₁₈H₁₂O. The IUPAC name of this chemical is 1-pyren-1-ylethanone. With the CAS registry number 3264-21-9, it is also named as 1-Acetylpyrene. The product's categories are C15 to C38; Carbonyl Compounds; Ketones. Besides, it should be stored in a dark cool and well-ventilated place.

Physical properties about Ethanone,1-(1-pyrenyl)- are: (1)ACD/LogP: 4.62; (2)ACD/LogD (pH 5.5): 4.62; (3)ACD/LogD (pH 7.4): 4.62; (4)ACD/BCF (pH 5.5): 1902.74; (5)ACD/BCF (pH 7.4): 1902.74; (6)ACD/KOC (pH 5.5): 7744.21; (7)ACD/KOC (pH 7.4): 7744.21; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.796; (12)Molar Refractivity: 82.49 cm³; (13)Molar Volume: 193.5 cm³; (14)Polarizability: 32.7×10^-24cm³; (15)Surface Tension: 58.3 dyne/cm; (16)Density: 1.262 g/cm³; (17)Flash Point: 195.6 °C; (18)Enthalpy of Vaporization: 69.44 kJ/mol; (19)Boiling Point: 437.7 °C at 760 mmHg; (20)Vapour Pressure: 7.32E-08 mmHg at 25°C.

Preparation of Ethanone,1-(1-pyrenyl)-: this chemical can be prepared by acetic acid anhydride and pyrene. This reaction will need reagents ZnCl₂, acetic acid. The reaction temperature is 85 - 90 °C.

Ethanone,1-(1-pyrenyl)- can be prepared by acetic acid anhydride and pyrene

Uses of Ethanone,1-(1-pyrenyl)-: it can be used to produce pyrene-1-carboxylic acid at temperature of 85 - 90 °C. It will need reagents pyridine, NaOCl with reaction time of 1 hour. The yield is about 75%.

Ethanone,1-(1-pyrenyl)- can be used to produce pyrene-1-carboxylic acid

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c4ccc2ccc1cccc3c1c2c4cc3)C
(2)InChI: InChI=1/C18H12O/c1-11(19)15-9-7-14-6-5-12-3-2-4-13-8-10-16(15)18(14)17(12)13/h2-10H,1H3
(3)InChIKey: KCIJNJVCFPSUBQ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C18H12O/c1-11(19)15-9-7-14-6-5-12-3-2-4-13-8-10-16(15)18(14)17(12)13/h2-10H,1H3
(5)Std. InChIKey: KCIJNJVCFPSUBQ-UHFFFAOYSA-N