3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate
Basic information
- CAS
50594-77-9- Standard SMILES
CC(=O)Oc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1- InChIKey
KNFRYRRZMRETJX-UHFFFAOYSA-N- Molecular formula
- C15H10ClF3O3
- Average molar mass
- 330.68 g/mol
- Monoisotopic mass
- 330.0270564
Names & identifiers
- Preferred name
- 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate
- IUPAC
- [3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl] acetate
- English name
- 3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl acetate
- Molecular formula
- C15H10ClF3O3
- Molecular weight
- 330.69
Names & synonyms
50594-77-9EINECS 256-635-07T2IS4PR1X3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetatePhenol, 3-(2-chloro-4-(trifluoromethyl)phenoxy)-, acetatePhenol, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-, acetate2-Chloro-4-trifluoromethyl-3'-acetoxydiphenyl ether3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol acetatePhenol, 3-(2-chloro-4-(trifluoromethyl)phenoxy)-, 1-acetateM-((2-CHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-P-TOLYL)OXY)PHENYL ACETATEPhenol, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-, 1-acetateRefChem:490832
Show more names
3-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)PHENOL,ACETATE
M-((2-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLYL)OXY)PHENYL ACETATE3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl acetate2-Chloro-1-(3-acetoxyphenoxy)-4-(trifluoromethyl)benzene3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenyl acetateUNII-7T2IS4PR1XDTXSID7028019KNFRYRRZMRETJX-UHFFFAOYSA-NDB-262068
Database identifiers
- CAS
50594-77-9- PubChem CID
- 93253
- DTXSID
DTXSID7028019- UNII
- 7T2IS4PR1X
- EC Number
- 256-635-0
- Nikkaji
- J261.545B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Density
- 1.4003 · 1.4003 (estimate)
- Henry's Law Constant
- 1.1 · 1.1×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- FDA UNII
- 7 T2IS4PR1X · 7T2IS4PR1X
- EPA Substance Registry System
- 3 · Phenol, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-, acetate (50594-77-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-, 1-acetate: INACTIVE
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Compound notes
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