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Name |
Fluoranthene,3-(bromomethyl)- |
EINECS | N/A |
CAS No. | 135294-98-3 | Density | 1.541g/cm3 |
PSA | 0.00000 | LogP | 5.38210 |
Solubility | N/A | Melting Point |
N/A |
Formula | C17H11Br | Boiling Point | 443.3 °C at 760 mmHg |
Molecular Weight | 295.1732 | Flash Point | 225.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-(bromomethyl)fluoranthene |
The Fluoranthene,3-(bromomethyl)-, with CAS registry number 135294-98-3, has the systematic name of 3-(bromomethyl)fluoranthene. Besides this, it is also called CCRIS 5203. And the chemical formula of this chemical is C17H11Br.
Physical properties of Fluoranthene,3-(bromomethyl)-: (1)ACD/LogP: 5.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.87; (4)ACD/LogD (pH 7.4): 5.87; (5)ACD/BCF (pH 5.5): 17079.86; (6)ACD/BCF (pH 7.4): 17079.86; (7)ACD/KOC (pH 5.5): 37256.27; (8)ACD/KOC (pH 7.4): 37256.27; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.844; (14)Molar Refractivity: 85.11 cm3; (15)Molar Volume: 191.4 cm3; (16)Polarizability: 33.74×10-24cm3; (17)Surface Tension: 62.6 dyne/cm; (18)Density: 1.541 g/cm3; (19)Flash Point: 225.5 °C; (20)Enthalpy of Vaporization: 67.39 kJ/mol; (21)Boiling Point: 443.3 °C at 760 mmHg; (22)Vapour Pressure: 1.22E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc4ccc2c1ccccc1c3c2c4ccc3
(2)InChI: InChI=1/C17H11Br/c18-10-11-8-9-16-14-5-2-1-4-13(14)15-7-3-6-12(11)17(15)16/h1-9H,10H2
(3)InChIKey: ULFISVXZDJQFKQ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C17H11Br/c18-10-11-8-9-16-14-5-2-1-4-13(14)15-7-3-6-12(11)17(15)16/h1-9H,10H2
(5)Std. InChIKey: ULFISVXZDJQFKQ-UHFFFAOYSA-N