CAS No.302554-80-9,2-Bromo-9,9-dioctyl fluorene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	302554-80-9
Name:	2-Bromo-9,9-dioctyl fluorene
Article Data:	29

Formula:	C₂₉H₄₁Br
Molecular Weight:	469.549
Synonyms:	2-Bromo-9,9-dioctyl-9H-fluorene;
EINECS:	807-973-8
Density:	1.076 g/cm³
Boiling Point:	533.285 °C at 760 mmHg
Flash Point:	260.074 °C
PSA:	0.00000
LogP:	10.21680

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Specification

The 9H-Fluorene, 2-bromo-9,9-dioctyl- has the CAS registry number 302554-80-9. This chemical's molecular formula is C₂₉H₄₁Br and molecular weight is 469.54. What's more, its systematic name is 2-Bromo-9,9-dioctyl-9H-fluorene.

Physical properties of 9H-Fluorene, 2-bromo-9,9-dioctyl- are: (1)ACD/LogP: 13.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 13; (4)ACD/LogD (pH 7.4): 13; (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)Index of Refraction: 1.534; (10)Molar Refractivity: 135.639 cm³; (11)Molar Volume: 436.173 cm³; (12)Polarizability: 53.771×10^-24cm³; (13)Surface Tension: 38.615 dyne/cm; (14)Density: 1.076 g/cm³; (15)Flash Point: 260.074 °C; (16)Enthalpy of Vaporization: 77.884 kJ/mol; (17)Boiling Point: 533.285 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc3c1ccccc1C(CCCCCCCC)(CCCCCCCC)c3c2
(2)Std. InChI: InChI=1S/C29H41Br/c1-3-5-7-9-11-15-21-29(22-16-12-10-8-6-4-2)27-18-14-13-17-25(27)26-20-19-24(30)23-28(26)29/h13-14,17-20,23H,3-12,15-16,21-22H2,1-2H3
(3)Std. InChIKey: ITVGRPGDCPNGHZ-UHFFFAOYSA-N