5-(Trifluoromethoxy)salicylaldehyde
5-(Trifluoromethoxy)salicylaldehyde structure
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Common Name | 5-(Trifluoromethoxy)salicylaldehyde | ||
|---|---|---|---|---|
| CAS Number | 93249-62-8 | Molecular Weight | 206.119 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 217.6±35.0 °C at 760 mmHg | |
| Molecular Formula | C8H5F3O3 | Melting Point | 31-33 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 85.4±25.9 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
| Name | 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde |
|---|---|
| Synonym | More Synonyms |
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 217.6±35.0 °C at 760 mmHg |
| Melting Point | 31-33 °C(lit.) |
| Molecular Formula | C8H5F3O3 |
| Molecular Weight | 206.119 |
| Flash Point | 85.4±25.9 °C |
| Exact Mass | 206.019073 |
| PSA | 46.53000 |
| LogP | 2.56 |
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
| Index of Refraction | 1.513 |
| InChIKey | WQUZBERVMUEJTD-UHFFFAOYSA-N |
| SMILES | O=Cc1cc(OC(F)(F)F)ccc1O |
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2913000090 |
|
~82%
5-(Trifluoromet... CAS#:93249-62-8 |
| Literature: ARRAY BIOPHARMA INC.; GENENTECH, INC.; HICKEN, Erik James; HUNT, Kevin W.; RODRIGUEZ, Martha E.; TANG, Tony P.; SIU, Michael Patent: WO2013/148851 A1, 2013 ; Location in patent: Paragraph 00244 ; |
|
~17%
5-(Trifluoromet... CAS#:93249-62-8 |
| Literature: Peschke, Bernd; Bak, Sonja; Hohlweg, Rolf; Nielsen, Rita; Viuff, Dorthe; Rimvall, Karin Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 12 p. 3162 - 3165 |
|
~%
5-(Trifluoromet... CAS#:93249-62-8 |
| Literature: European Journal of Medicinal Chemistry, , vol. 73, p. 177 - 186 |
|
~%
5-(Trifluoromet... CAS#:93249-62-8 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 12 p. 3162 - 3165 |
| HS Code | 2913000090 |
|---|---|
| Summary | HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0% |
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(E)-2-[(3-Fluoro-phen-yl)imino-meth-yl]-4-(trifluoro-meth-oxy)phenol.
Acta Crystallogr. Sect. E Struct. Rep. Online 66(3) , o510, (2010) The title compound, C(14)H(9)F(4)NO(2), is a Schiff base which adopts the phenol-imine tautomeric form in the solid state. The H atom is located on the hydr-oxy O atom rather than on the N atom. This ... |
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2-[(E)-2-Hy-droxy-5-(trifluoro-meth-oxy)benzyl-idene-amino]-4-methyl-phenol.
Acta Crystallogr. Sect. E Struct. Rep. Online 67(1) , o95-o95, (2010) The title compound, C(15)H(12)F(3)NO(3), is a Schiff base which adopts the cis-quinoid form in the solid state. The dihedral angle between the least-squares planes of the benzene rings being 3.6 (1)°.... |
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Metabolism, pharmacokinetics, and excretion of the substance P receptor antagonist CP-122,721 in humans: structural characterization of the novel major circulating metabolite 5-trifluoromethoxy salicylic acid by high-performance liquid chromatography-tandem mass spectrometry and NMR spectroscopy.
Drug Metab. Dispos. 35(6) , 884-97, (2007) The metabolism, pharmacokinetics, and excretion of a potent and selective substance P receptor antagonist, CP-122,721 [(+)-(2S,3S)-3-(2-methoxy-5-trifluoromethoxybenzylamino)-2-phenylpiperidine], have... |
| 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde |
| Benzaldehyde, 2-hydroxy-5-(trifluoromethoxy)- |
| 5-(Trifluoromethoxy)salicylaldehyde |
| MFCD00075249 |
| VHR BQ EOXFFF |