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| CAS No.: | 110904-87-5 |
|---|---|
| Name: | 9,10-Bis(4-methoxyphenyl)-2-chloroanthracene |
| Molecular Structure: | |
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| Formula: | C28H21ClO2 |
| Molecular Weight: | 424.93 |
| Synonyms: | 2-Chloro-9,10-bis(p-methoxyphenyl)anthracene; |
| Density: | 1.22 g/cm3 |
| Melting Point: | 240-242 °C(lit.) |
| Boiling Point: | 549.965 °C at 760 mmHg |
| Flash Point: | 174.131 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 18.46000 |
| LogP: | 7.99760 |
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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