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10,10'-Dibromo-9,9'-bianthryl

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Name

10,10'-Dibromo-9,9'-bianthryl

EINECS
CAS No. 121848-75-7 Density 1.583 g/cm3
Solubility Melting Point 357-359 °C
Formula C28H16Br2 Boiling Point 598.992 °C at 760 mmHg
Molecular Weight 512.23 Flash Point 361.42 °C
Transport Information Appearance White powder
Safety Risk Codes
Molecular Structure Molecular Structure of 121848-75-7 (10,10'-Dibromo-9,9'-bianthryl) Hazard Symbols
Synonyms

9,9'-Bianthryl,10,10'-dibromo- (6CI);10,10'-Dibromo-9,9'-bianthracene;

 

10,10'-Dibromo-9,9'-bianthryl Specification

The 10,10'-Dibromo-9,9'-bianthryl, with the cas registry number 121848-75-7, has other names as 9,9'-Bianthryl,10,10'-dibromo- (6CI).

The characteristics of this kind of chemical are as follows: (1)ACD/LogP: 10.35; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10; (4)ACD/LogD (pH 7.4): 10; (5)#H bond acceptors: 0; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 0; (8)Index of Refraction: 1.794; (9)Molar Refractivity: 137.595 cm3; (10)Molar Volume: 323.551 cm3; (11)Polarizability: 54.547× 10-24 cm3; (12)Surface Tension: 59.062 dyne/cm; (13)Density: 1.583 g/cm3; (14)Flash Point: 361.42 °C; (15)Enthalpy of Vaporization: 85.901 kJ/mol; (16)Boiling Point: 598.992 °C at 760 mmHg

Additionally, the following datas could be converted into the molecular structure:
(1)SMILES:Brc5c1ccccc1c(c3c2ccccc2c(Br)c4ccccc34)c6ccccc56
(2)InChI:InChI=1/C28H16Br2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H
(3)InChIKey:NPNNLGXEAGTSRN-UHFFFAOYAE

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