Input interpretation
m-iodobenzotrifluoride
Chemical names and formulas
formula | IC_6H_4CF_3 Hill formula | C_7H_4F_3I name | m-iodobenzotrifluoride IUPAC name | 1-iodo-3-(trifluoromethyl)benzene alternate names | 1-iodo-3-(trifluoromethyl)benzene | 3-iodobenzotrifluoride | 3-iodo-α, α, α-trifluorotoluene | alpha, alpha, alpha-trifluoro-m-iodotoluene | benzene, 1-iodo-3-(trifluoromethyl)- | m-(trifluoromethyl)iodobenzene mass fractions | C (carbon) 30.9% | F (fluorine) 21% | H (hydrogen) 1.48% | I (iodine) 46.7%
Lewis structure
Draw the Lewis structure of m-iodobenzotrifluoride. Start by drawing the overall structure of the molecule, ignoring potential double and triple bonds: Count the total valence electrons of the carbon (n_C, val = 4), fluorine (n_F, val = 7), hydrogen (n_H, val = 1), and iodine (n_I, val = 7) atoms: 7 n_C, val + 3 n_F, val + 4 n_H, val + n_I, val = 60 Calculate the number of electrons needed to completely fill the valence shells for carbon (n_C, full = 8), fluorine (n_F, full = 8), hydrogen (n_H, full = 2), and iodine (n_I, full = 8): 7 n_C, full + 3 n_F, full + 4 n_H, full + n_I, full = 96 Subtracting these two numbers shows that 96 - 60 = 36 bonding electrons are needed. Each bond has two electrons, so in addition to the 15 bonds already present in the diagram add 3 bonds. To minimize formal charge carbon wants 4 bonds. Identify the atoms that want additional bonds and the number of electrons remaining on each atom: Fill in the 3 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 | 272.01 g/mol phase | liquid (at STP) melting point | -8 °C boiling point | 82.25 °C (measured at 3333 Pa) density | 1.887 g/cm^3 solubility in water | insoluble
Units
Liquid properties (at STP)
density | 1.887 g/cm^3 refractive index | 1.517
Units
Chemical identifiers
CAS number | 401-81-0 PubChem CID number | 67868 PubChem SID number | 24852409 SMILES identifier | C1=CC(=CC(=C1)I)C(F)(F)F InChI identifier | InChI=1/C7H4F3I/c8-7(9, 10)5-2-1-3-6(11)4-5/h1-4H MDL number | MFCD00001049
Safety properties
flash point | 70 °C
DOT hazard class | 8 DOT numbers | 1760