Input interpretation
4-chloro-2, 8-bis(trifluoromethyl)quinoline
Chemical names and formulas
formula | C_11H_4ClF_6N name | 4-chloro-2, 8-bis(trifluoromethyl)quinoline alternate names | 2, 8-bis(trifluoromethyl)-4-chloroquinoline | 4-chloro-2, 8-bis-trifluoromethyl-quinoline mass fractions | C (carbon) 44.1% | Cl (chlorine) 11.8% | F (fluorine) 38% | H (hydrogen) 1.35% | N (nitrogen) 4.68%
Lewis structure
Draw the Lewis structure of 4-chloro-2, 8-bis(trifluoromethyl)quinoline. 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), chlorine (n_Cl, val = 7), fluorine (n_F, val = 7), hydrogen (n_H, val = 1), and nitrogen (n_N, val = 5) atoms: 11 n_C, val + n_Cl, val + 6 n_F, val + 4 n_H, val + n_N, val = 102 Calculate the number of electrons needed to completely fill the valence shells for carbon (n_C, full = 8), chlorine (n_Cl, full = 8), fluorine (n_F, full = 8), hydrogen (n_H, full = 2), and nitrogen (n_N, full = 8): 11 n_C, full + n_Cl, full + 6 n_F, full + 4 n_H, full + n_N, full = 160 Subtracting these two numbers shows that 160 - 102 = 58 bonding electrons are needed. Each bond has two electrons, so in addition to the 24 bonds already present in the diagram add 5 bonds. To minimize formal charge nitrogen wants 3 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 5 bonds by pairing electrons between adjacent highlighted atoms. Note that the six atom rings are aromatic, so that the single and double bonds may be rearranged: Answer: | |
3D structure
3D structure
Basic properties
molar mass | 299.6 g/mol phase | solid (at STP) melting point | 47 °C boiling point | 278 °C
Units
Chemical identifiers
CAS number | 83012-13-9 PubChem CID number | 2733247 PubChem SID number | 24860490 SMILES identifier | C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2Cl)C(F)(F)F InChI identifier | InChI=1/C11H4ClF6N/c12-7-4-8(11(16, 17)18)19-9-5(7)2-1-3-6(9)10(13, 14)15/h1-4H MDL number | MFCD00075104
NFPA label
NFPA label
NFPA health rating | 2 NFPA fire rating | 0 NFPA reactivity rating | 0
Safety properties
flash point | 110 °C