Anthracene, 9,10-bis(phenylmethyl)- supplier

Name
9,10-dibenzylanthracene
EINECS 222-785-0
CAS No. 3613-42-1
Article Data17
CAS DataBase
Density 1.132 g/cm³
Solubility
Melting Point 246.5°C
Formula C₂₈H₂₂
Boiling Point 550.2 °C at 760 mmHg
Molecular Weight 358.483
Flash Point 285 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Anthracene, 9,10-dibenzyl- (6CI,7CI,8CI);9,10-Dibenzylanthracene;
PSA 0.00000
LogP 7.17460

Anthracene, 9,10-bis(phenylmethyl)- Specification

The Anthracene, 9,10-bis(phenylmethyl)- is an organic compound with the formula C₂₈H₂₂. With the CAS registry number 3613-42-1, the IUPAC name of this chemical is 9,10-dibenzylanthracene.

Physical properties about Anthracene, 9,10-bis(phenylmethyl)- are: (1)ACD/LogP: 8.66; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.66; (4)ACD/LogD (pH 7.4): 8.66; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1220405; (8)ACD/KOC (pH 7.4): 1220405; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.687; (11)Molar Refractivity: 120.56 cm³; (12)Molar Volume: 316.4 cm³; (13)Polarizability: 47.79×10^-24cm³; (14)Surface Tension: 48.9 dyne/cm; (15)Density: 1.132 g/cm³; (16)Flash Point: 285 °C; (17)Enthalpy of Vaporization: 79.92 kJ/mol; (18)Boiling Point: 550.2 °C at 760 mmHg; (19)Vapour Pressure: 1.36E-11 mmHg at 25°C.

Preparation: this chemical can be prepared by methylbenzene and 9-nitro-anthracene. This reaction will need reagent t-butyl peroxyoxalate. The reaction time is 4 hours with reaction temperature of 70 °C. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)SMILES: c23c(c1ccccc1c(c2cccc3)Cc4ccccc4)Cc5ccccc5
(2)InChI: InChI=1/C28H22/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)28(20-22-13-5-2-6-14-22)26-18-10-8-16-24(26)27/h1-18H,19-20H2
(3)InChIKey: FMVRRCDBALUUBI-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C28H22/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)28(20-22-13-5-2-6-14-22)26-18-10-8-16-24(26)27/h1-18H,19-20H2
(5)Std. InChIKey: FMVRRCDBALUUBI-UHFFFAOYSA-N

Product Name

9,10-dibenzylanthracene

Anthracene, 9,10-bis(phenylmethyl)- Specification

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