Name: 1,4,5,8,9,10-Hexahydroanthracene
SKU: 5910-28-1

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Basic Information

Molecular Structure:
CAS No.:	5910-28-1
Name:	1,4,5,8,9,10-Hexahydroanthracene
Article Data:	14

Formula:	C₁₄H₁₆
Molecular Weight:	184.281
Synonyms:	anthracene, 1,4,5,8,9,10-hexahydro-;
EINECS:	227-621-1
Density:	1.04 g/cm³
Melting Point:	147-150 °C
Boiling Point:	315.2 °C at 760 mmHg
Flash Point:	120.4 °C
Appearance:	Clear yellow liquid. Nutty, cocoa odor.
PSA:	0.00000
LogP:	4.07340

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Specification

The CAS register number of 1,4,5,8,9,10-Hexahydroanthracene is 5910-28-1. It also can be called as anthracene, 1,4,5,8,9,10-hexahydro-. The molecular formula about this chemical is C₁₄H₁₆ and the molecular weight is 184.28.

Physical properties about 1,4,5,8,9,10-Hexahydroanthracene are: (1)ACD/LogP: 4.27; (2)ACD/LogD (pH 5.5): 4.27; (3)ACD/LogD (pH 7.4): 4.27; (4)ACD/BCF (pH 5.5): 1037.77; (5)ACD/BCF (pH 7.4): 1037.77; (6)ACD/KOC (pH 5.5): 5017.94; (7)ACD/KOC (pH 7.4): 5017.94; (8)Index of Refraction: 1.59; (9)Molar Refractivity: 59.46 cm3; (10)Molar Volume: 176 cm3; (11)Polarizability: 23.57 10-24cm3; (12)Surface Tension: 38.2 dyne/cm; (13)Density: 1.04 g/cm3; (14)Flash Point: 120.4 °C; (15)Enthalpy of Vaporization: 53.42 kJ/mol; (16)Boiling Point: 315.2 °C at 760 mmHg; (17)Vapour Pressure: 0.000822 mmHg at 25 °C.

Preparation: this chemical can be prepared by anthracene. This reaction will need reagent of Ca, white sand, t-BuOH and solvent of various solvents, ethane-1,2-diamine, tetrahydrofuran. The reaction time is 24 hours with reaction temperature of 0 °C. The yield is about 63%.

Uses of 1,4,5,8,9,10-Hexahydroanthracene: it can be used to produce anthracene. This reaction will need reagent of MnO₂ and solvent of benzene. This reaction needs heating. The reaction time is 4 hours. The yield is about 89%.

You can still convert the following datas into molecular structure:
(1)SMILES: C\3=C\C/C1=C(/C\C2=C(/C1)C/C=C\C2)C/3
(2)InChI: InChI=1/C14H16/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-4H,5-10H2
(3)InChIKey: LNRAWXJRDXDHJN-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C14H16/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-4H,5-10H2
(5)Std. InChIKey: LNRAWXJRDXDHJN-UHFFFAOYSA-N