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| CAS No.: | 13438-50-1 |
|---|---|
| Name: | 3-BROMOFLUORANTHENE |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C16H9Br |
| Molecular Weight: | 281.151 |
| Synonyms: | 3-Bromofluoranthene; |
| EINECS: | 808-043-4 |
| Density: | 1.578 g/cm3 |
| Melting Point: | 106.0 to 200.0 °C |
| Boiling Point: | 422.5 °C at 760 mmHg |
| Flash Point: | 209.4 °C |
| PSA: | 0.00000 |
| LogP: | 5.24970 |
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Specification
The Fluoranthene, 3-bromo-, with CAS registry number 13438-50-1, has the systematic name of 3-bromofluoranthene. Its molecular weight is 281.15. And the chemical formula of this chemical is C16H9Br.
Physical properties of Fluoranthene, 3-bromo-: (1)ACD/LogP: 5.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.94; (4)ACD/LogD (pH 7.4): 5.94; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: Å2; (9)Index of Refraction: 1.858; (10)Molar Refractivity: 80.15 cm3; (11)Molar Volume: 178.1 cm3; (12)Polarizability: 31.77×10-24cm3; (13)Surface Tension: 62.1 dyne/cm; (14)Density: 1.578 g/cm3; (15)Flash Point: 209.4 °C; (16)Enthalpy of Vaporization: 65.05 kJ/mol; (17)Boiling Point: 422.5 °C at 760 mmHg; (18)Vapour Pressure: 5.91E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc-2c(c1)-c3cccc4c3c2ccc4Br
(2)InChI: InChI=1/C16H9Br/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H
(3)InChIKey: WCXFCLXZMIFHBU-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C16H9Br/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H
(5)Std. InChIKey: WCXFCLXZMIFHBU-UHFFFAOYSA-N