CAS No.187086-32-4,3-Bromo-7,12-diphenylbenzo[k]fluoranthene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	187086-32-4
Name:	3-Bromo-7,12-diphenylbenzo[k]fluoranthene
Article Data:	20

Formula:	C₃₂H₁₉Br
Molecular Weight:	483.407
Synonyms:	X4085;4-bromo-(7,12-diphenyl)benzo[k]fluoranthene;4-bromo-7,12-diphenylbenzo[k]fluorantene;
Density:	1.41 g/cm³
Boiling Point:	649.385 °C at 760 mmHg
Flash Point:	336.524 °C
PSA:	0.00000
LogP:	9.73690

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Specification

With the CAS registry number 187086-32-4, the systematic name of 3-Bromo-7,12-diphenylbenzo[k]fluoranthene is 3-Bromo-7,12-diphenylbenzo[k]fluoranthene. In addition, its molecular formula is C₃₂H₁₉Br and its molecular weight is 483.40.

The other characteristics of 3-Bromo-7,12-diphenylbenzo[k]fluoranthene can be summarized as: (1)ACD/LogP: 10.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11; (4)ACD/LogD (pH 7.4): 11; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)H bond acceptors: 0; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Index of Refraction: 1.805; (13)Molar Refractivity: 147.181 cm³; (14)Molar Volume: 342.848 cm³; (15)Polarizability: 58.347×10^-24cm³; (16)Surface Tension: 59.132 dyne/cm; (17)Density: 1.41 g/cm³; (18)Flash Point: 336.524 °C; (19)Enthalpy of Vaporization: 92.251 kJ/mol; (20)Boiling Point: 649.385 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Brc6ccc4c3c(c1ccccc1c(c2ccccc2)c3c5c4c6ccc5)c7ccccc7
(2)InChI:InChI=1/C32H19Br/c33-27-19-18-26-30-24(27)16-9-17-25(30)31-28(20-10-3-1-4-11-20)22-14-7-8-15-23(22)29(32(26)31)21-12-5-2-6-13-21/h1-19H
(3)InChIKey:MBWSEPXTVAGLJS-UHFFFAOYAI
(4)Std. InChI:InChI=1S/C32H19Br/c33-27-19-18-26-30-24(27)16-9-17-25(30)31-28(20-10-3-1-4-11-20)22-14-7-8-15-23(22)29(32(26)31)21-12-5-2-6-13-21/h1-19H
(5)Std. InChIKey:MBWSEPXTVAGLJS-UHFFFAOYSA-N