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CAS 570391-18-3

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3-Chloro-5-(trifluoromethyl)phenol

Description:
3-Chloro-5-(trifluoromethyl)phenol is an organic compound characterized by its phenolic structure, where a chlorine atom and a trifluoromethyl group are substituted on the aromatic ring. The presence of the chlorine atom at the meta position and the trifluoromethyl group at the para position significantly influences its chemical properties, including its reactivity and polarity. This compound is typically a solid at room temperature and exhibits moderate solubility in organic solvents. It is known for its potential applications in pharmaceuticals, agrochemicals, and as an intermediate in organic synthesis. The trifluoromethyl group enhances the compound's lipophilicity and can improve biological activity. Additionally, the compound may exhibit antimicrobial properties, making it of interest in various industrial applications. Safety data should be consulted, as halogenated compounds can pose environmental and health risks. Proper handling and disposal procedures are essential when working with this substance.
Formula:C30F57N3
InChI:InChI=1/C30F57N3/c31-4(32,7(37,38)10(43,44)13(49,50)16(55,56)19(61,62)22(67,68)25(73,74)28(79,80)81)1-88-2(5(33,34)8(39,40)11(45,46)14(51,52)17(57,58)20(63,64)23(69,70)26(75,76)29(82,83)84)90-3(89-1)6(35,36)9(41,42)12(47,48)15(53,54)18(59,60)21(65,66)24(71,72)27(77,78)30(85,86)87
SMILES:c1(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)nc(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)nc(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)n1
Synonyms:
  • 3-Chloro-5-hydroxybenzotrifluoride
  • 3-Chloro-5-Trifluoromethylphenol
  • Qr Cg Exfff
  • 2,4,6-Tris(Nonadecafluorononyl)-1,3,5-Triazine
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