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957-52-8

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Basic Information
CAS No.: 957-52-8
Name: 3-CHLOROMETHYLFLUORANTHENE
Molecular Structure:
Molecular Structure of 957-52-8 (3-CHLOROMETHYLFLUORANTHENE)
Formula: C17H11Cl
Molecular Weight: 250.727
Synonyms: 3-(Chloromethyl)fluoranthene;
Density: 1.321 g/cm3
Boiling Point: 434.1 °C at 760 mmHg
Flash Point: 201.2 °C
PSA: 0.00000
LogP: 5.22600
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    3-CHLOROMETHYLFLUORANTHENEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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Specification

The Fluoranthene,3-(chloromethyl)- is an organic compound with the formula C17H11Cl. With the CAS registry number 957-52-8, the IUPAC name of this chemical is 3-(chloromethyl)fluoranthene.

Physical properties about Fluoranthene,3-(chloromethyl)- are: (1)ACD/LogP: 5.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.44; (4)ACD/LogD (pH 7.4): 5.44; (5)ACD/BCF (pH 5.5): 8018.04; (6)ACD/BCF (pH 7.4): 8018.04; (7)ACD/KOC (pH 5.5): 21683.16; (8)ACD/KOC (pH 7.4): 21683.16; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.815; (11)Molar Refractivity: 82.22 cm3; (12)Molar Volume: 189.6 cm3; (13)Polarizability: 32.59×10-24cm3; (14)Surface Tension: 58.6 dyne/cm; (15)Density: 1.321 g/cm3; (16)Flash Point: 201.2 °C; (17)Enthalpy of Vaporization: 66.35 kJ/mol; (18)Boiling Point: 434.1 °C at 760 mmHg; (19)Vapour Pressure: 2.47E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc4ccc2c1ccccc1c3c2c4ccc3
(2)InChI: InChI=1/C17H11Cl/c18-10-11-8-9-16-14-5-2-1-4-13(14)15-7-3-6-12(11)17(15)16/h1-9H,10H2
(3)InChIKey: HNQCQEGJQSCZMU-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C17H11Cl/c18-10-11-8-9-16-14-5-2-1-4-13(14)15-7-3-6-12(11)17(15)16/h1-9H,10H2
(5)Std. InChIKey: HNQCQEGJQSCZMU-UHFFFAOYSA-N