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9,10-Bis(4-methoxyphenyl)-2-chloroanthracene

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Name

9,10-Bis(4-methoxyphenyl)-2-chloroanthracene

EINECS N/A
CAS No. 110904-87-5 Density 1.22 g/cm3
PSA 18.46000 LogP 7.99760
Solubility N/A Melting Point 240-242 °C(lit.)
Formula C28H21ClO2 Boiling Point 549.965 °C at 760 mmHg
Molecular Weight 424.93 Flash Point 174.131 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 110904-87-5 (9,10-Bis(4-methoxyphenyl)-2-chloroanthracene) Hazard Symbols IrritantXi
Synonyms

2-Chloro-9,10-bis(p-methoxyphenyl)anthracene;

 

9,10-Bis(4-methoxyphenyl)-2-chloroanthracene Specification

The IUPAC name of 9,10-Bis(4-methoxyphenyl)-2-chloroanthracene is 2-chloro-9,10-bis(4-methoxyphenyl)anthracene. With the CAS registry number 110904-87-5, it is also named as Anthracene,2-chloro-9,10-bis(4-methoxyphenyl)-. In addition, its molecular formula is C28H21ClO2 and molecular weight is 424.93.

The other characteristics of 9,10-Bis(4-methoxyphenyl)-2-chloroanthracene can be summarized as: (1)ACD/LogP: 8.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.42; (4)ACD/LogD (pH 7.4): 8.42; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 907061.69; (8)ACD/KOC (pH 7.4): 907061.69; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.665; (13)Molar Refractivity: 129.37 cm3; (14)Molar Volume: 348.1 cm3; (15)Surface Tension: 46.8 dyne/cm; (16)Density: 1.22 g/cm3; (17)Flash Point: 174.1 °C; (18)Melting Point: 240-242 °C; (19)Enthalpy of Vaporization: 79.89 kJ/mol; (20)Boiling Point: 550 °C at 760 mmHg; (21)Vapour Pressure: 1.39E-11 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc4ccc3c(c1ccccc1c(c2ccc(OC)cc2)c3c4)c5ccc(OC)cc5
(2)InChI: InChI=1/C28H21ClO2/c1-30-21-12-7-18(8-13-21)27-23-5-3-4-6-24(23)28(19-9-14-22(31-2)15-10-19)26-17-20(29)11-16-25(26)27/h3-17H,1-2H3
(3)InChIKey: ONASMBRWDSADQY-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C28H21ClO2/c1-30-21-12-7-18(8-13-21)27-23-5-3-4-6-24(23)28(19-9-14-22(31-2)15-10-19)26-17-20(29)11-16-25(26)27/h3-17H,1-2H3
(5)Std. InChIKey: ONASMBRWDSADQY-UHFFFAOYSA-N

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