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CAS No.: | 715-50-4 |
---|---|
Name: | 3-Bromophenanthrene |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C14H9Br |
Molecular Weight: | 257.129 |
Synonyms: | Phenanthrene, 3-Bromo-; |
Density: | 1.479g/cm3 |
Melting Point: | 83 °C |
Boiling Point: | 389.7 °C at 760 mmHg |
Flash Point: | 190.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 20/21/22-50/53-41-37/38 |
Safety: | 22-36/37/39-61-60-39-26 |
PSA: | 0.00000 |
LogP: | 4.75550 |
The 3-Bromophenanthrene, with CAS registry number 715-50-4, has the systematic name of 3-bromophenanthrene. And its IUPAC name is the same one. Besides this, it is also called phenanthrene, 3-bromo-. And the chemical formula of this chemical is C14H9Br. The main use of this chemical is organic synthesis.
Physical properties of 3-Bromophenanthrene: (1)ACD/LogP: 5.45; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.45; (4)ACD/LogD (pH 7.4): 5.45; (5)ACD/BCF (pH 5.5): 8185.78; (6)ACD/BCF (pH 7.4): 8185.78; (7)ACD/KOC (pH 5.5): 22006.9; (8)ACD/KOC (pH 7.4): 22006.9; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.733; (14)Molar Refractivity: 69.62 cm3; (15)Molar Volume: 173.8 cm3; (16)Polarizability: 27.6×10-24cm3; (17)Surface Tension: 51.3 dyne/cm; (18)Enthalpy of Vaporization: 61.41 kJ/mol; (19)Vapour Pressure: 6.28E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc3ccc2ccc1ccccc1c2c3
(2)InChI: InChI=1/C14H9Br/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H
(3)InChIKey: BNGNNFQSUWVWCW-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C14H9Br/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H
(5)Std. InChIKey: BNGNNFQSUWVWCW-UHFFFAOYSA-N