Home Other Building Blocks 1,2,4,5-Tetrafluoro-3-(trifluoromethyl)benzene

1,2,4,5-Tetrafluoro-3-(trifluoromethyl)benzene

CAS No.:
651-80-9
Catalog Number:
AG003FER
Molecular Formula:
C7HF7
Molecular Weight:
218.0717
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Product Description
Catalog Number:
AG003FER
Chemical Name:
1,2,4,5-Tetrafluoro-3-(trifluoromethyl)benzene
CAS Number:
651-80-9
Molecular Formula:
C7HF7
Molecular Weight:
218.0717
MDL Number:
MFCD00012385
IUPAC Name:
1,2,4,5-tetrafluoro-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C7HF7/c8-2-1-3(9)6(11)4(5(2)10)7(12,13)14/h1H
InChI Key:
ZVPAJILXQHMKMT-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c(c(c1F)C(F)(F)F)F
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.997g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.074g/mol
Monoisotopic Mass:
217.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Dichlorido[2,3,5,6-tetra-fluoro-4-(tri-fluoro-meth-yl)phenyl-κC]bis-(tri-methyl-phosphine-κP)cobalt(III). Acta crystallographica. Section E, Structure reports online 20100501
Synthesis and reactivity of low-coordinate iron(II) fluoride complexes and their use in the catalytic hydrodefluorination of fluorocarbons. Journal of the American Chemical Society 20050601
Synthesis of (Z)-4-hydroxytamoxifen and (Z)-2-[4-[1-(p-hydroxyphenyl)-2-phenyl]-1butenyl]phenoxyacetic acid. The Journal of organic chemistry 20020628
Properties