CAS 93249-62-8|5-(Trifluoromethoxy)salicylaldehyde

Introduction:Basic information about CAS 93249-62-8|5-(Trifluoromethoxy)salicylaldehyde, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name5-(Trifluoromethoxy)salicylaldehyde
CAS Number93249-62-8Molecular Weight206.119
Density1.5±0.1 g/cm3Boiling Point217.6±35.0 °C at 760 mmHg
Molecular FormulaC8H5F3O3Melting Point31-33 °C(lit.)
MSDSChineseUSAFlash Point85.4±25.9 °C
Symbol
GHS07
Signal WordWarning

Names

Name2-Hydroxy-5-(trifluoromethoxy)benzaldehyde
SynonymMore Synonyms

Chemical & Physical Properties

Density1.5±0.1 g/cm3
Boiling Point217.6±35.0 °C at 760 mmHg
Melting Point31-33 °C(lit.)
Molecular FormulaC8H5F3O3
Molecular Weight206.119
Flash Point85.4±25.9 °C
Exact Mass206.019073
PSA46.53000
LogP2.56
Vapour Pressure0.1±0.4 mmHg at 25°C
Index of Refraction1.513
InChIKeyWQUZBERVMUEJTD-UHFFFAOYSA-N
SMILESO=Cc1cc(OC(F)(F)F)ccc1O

Safety Information

Symbol
GHS07
Signal WordWarning
Hazard StatementsH315-H319-H335
Precautionary StatementsP261-P305 + P351 + P338
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Gloves
Hazard CodesXi: Irritant;
Risk PhrasesR36/37/38
Safety PhrasesS26-S37/39
RIDADRNONH for all modes of transport
WGK Germany3
HS Code2913000090

Customs

HS Code2913000090
SummaryHS: 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%

Articles4

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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 ...

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)°....

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...

Synonyms

2-Hydroxy-5-(trifluoromethoxy)benzaldehyde
Benzaldehyde, 2-hydroxy-5-(trifluoromethoxy)-
5-(Trifluoromethoxy)salicylaldehyde
MFCD00075249
VHR BQ EOXFFF
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