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135965-21-8

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Basic Information
CAS No.: 135965-21-8
Name: 9,10-BIS(4-ETHOXYPHENYL)-2-CHLOROANTHRACENE
Molecular Structure:
Molecular Structure of 135965-21-8 (9,10-BIS(4-ETHOXYPHENYL)-2-CHLOROANTHRACENE)
Formula: C30H25ClO2
Molecular Weight: 452.98
Synonyms: 9,10-BIS(4-ETHOXYPHENYL)-2-CHLOROANTHRACENE;9,10-bis(4-ethoxyphenyl)-2-chloroantracene
Density: 1.188 g/cm3
Melting Point: 264-265℃
Boiling Point: 570.5 °C at 760 mmHg
Flash Point: 167.2 °C
PSA: 18.46000
LogP: 8.77780
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Specification

The Anthracene,2-chloro-9,10-bis(4-ethoxyphenyl)- is an organic compound with the formula C30H25ClO2. The systematic name of this chemical is 2-chloro-9,10-bis(4-ethoxyphenyl)anthracene. With the CAS registry number 135965-21-8, it is also named as 4-[3-chloro-10-(4-ethoxyphenyl)(9-anthryl)]-1-ethoxybenzene.

Physical properties about Anthracene,2-chloro-9,10-bis(4-ethoxyphenyl)- are: (1)ACD/LogP: 9.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.48; (4)ACD/LogD (pH 7.4): 9.48; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3433567.75; (8)ACD/KOC (pH 7.4): 3433567.75; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 18.46 Å2; (12)Index of Refraction: 1.647; (13)Molar Refractivity: 138.63 cm3; (14)Molar Volume: 381.2 cm3; (15)Polarizability: 54.96×10-24cm3; (16)Surface Tension: 45.5 dyne/cm; (17)Density: 1.188 g/cm3; (18)Flash Point: 167.2 °C; (19)Enthalpy of Vaporization: 82.38 kJ/mol; (20)Boiling Point: 570.5 °C at 760 mmHg; (21)Vapour Pressure: 1.96E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOc1ccc(cc1)c3c5cc(Cl)ccc5c(c2ccccc23)c4ccc(OCC)cc4
(2)InChI: InChI=1/C30H25ClO2/c1-3-32-23-14-9-20(10-15-23)29-25-7-5-6-8-26(25)30(28-19-22(31)13-18-27(28)29)21-11-16-24(17-12-21)33-4-2/h5-19H,3-4H2,1-2H3
(3)InChIKey: RFVZBUUPBPFZMH-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C30H25ClO2/c1-3-32-23-14-9-20(10-15-23)29-25-7-5-6-8-26(25)30(28-19-22(31)13-18-27(28)29)21-11-16-24(17-12-21)33-4-2/h5-19H,3-4H2,1-2H3
(5)Std. InChIKey: RFVZBUUPBPFZMH-UHFFFAOYSA-N