Input interpretation
1-(3-bromo-4-fluorophenyl)ethanone
Chemical names and formulas
formula | BrC_6H_3(F)COCH_3 Hill formula | C_8H_6BrFO name | 1-(3-bromo-4-fluorophenyl)ethanone alternate names | 1-(3-bromo-4-fluorophenyl)ethan-1-one | 1-(3-bromo-4-fluoro-phenyl)ethanone | 3'-bromo-4'-fluoroacetophenone | 3-bromo-4-fluoroacetophenone mass fractions | Br (bromine) 36.8% | C (carbon) 44.3% | F (fluorine) 8.75% | H (hydrogen) 2.79% | O (oxygen) 7.37%
Lewis structure
Draw the Lewis structure of 1-(3-bromo-4-fluorophenyl)ethanone. Start by drawing the overall structure of the molecule, ignoring potential double and triple bonds: Count the total valence electrons of the bromine (n_Br, val = 7), carbon (n_C, val = 4), fluorine (n_F, val = 7), hydrogen (n_H, val = 1), and oxygen (n_O, val = 6) atoms: n_Br, val + 8 n_C, val + n_F, val + 6 n_H, val + n_O, val = 58 Calculate the number of electrons needed to completely fill the valence shells for bromine (n_Br, full = 8), carbon (n_C, full = 8), fluorine (n_F, full = 8), hydrogen (n_H, full = 2), and oxygen (n_O, full = 8): n_Br, full + 8 n_C, full + n_F, full + 6 n_H, full + n_O, full = 100 Subtracting these two numbers shows that 100 - 58 = 42 bonding electrons are needed. Each bond has two electrons, so in addition to the 17 bonds already present in the diagram add 4 bonds. To minimize formal charge oxygen wants 2 bonds and carbon wants 4 bonds. Identify the atoms that want additional bonds and the number of electrons remaining on each atom: Fill in the 4 bonds by pairing electrons between adjacent highlighted atoms. Note that the six atom ring is aromatic, so that the single and double bonds may be rearranged: Answer: | |
3D structure
3D structure
Basic properties
molar mass | 217.04 g/mol phase | solid (at STP) melting point | 54.5 °C boiling point | 240 °C solubility in water | insoluble
Units
Solid properties (at STP)
vapor pressure | 0.01 mmHg (at 25 °C)
Units
Thermodynamic properties
molar heat of vaporization | 50.3 kJ/mol specific heat of vaporization | 0.232 kJ/g (at STP)
Chemical identifiers
CAS number | 1007-15-4 PubChem CID number | 70508 PubChem SID number | 24860662 SMILES identifier | CC(=O)C1=CC(=C(C=C1)F)Br InChI identifier | InChI=1/C8H6BrFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H, 1H3 MDL number | MFCD00042466
NFPA label
NFPA label
NFPA health rating | 1 NFPA fire rating | 0 NFPA reactivity rating | 0
Safety properties
flash point | 110 °C