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1-Isocyanato-2-(trifluoromethyl)benzene

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Identification
Molecular formula
C8H4F3NO
CAS number
16117-30-3
IUPAC name
1-isocyanato-2-(trifluoromethyl)benzene
State
State
The compound is a liquid at room temperature. While it may solidify at temperatures below its melting point, it remains in a liquid state under standard laboratory conditions.
Melting point (Celsius)
34.00
Melting point (Kelvin)
307.10
Boiling point (Celsius)
192.10
Boiling point (Kelvin)
465.30
General information
Molecular weight
185.12g/mol
Molar mass
185.1280g/mol
Density
1.3688g/cm3
Appearence

1-Isocyanato-2-(trifluoromethyl)benzene is typically a clear to pale yellow liquid. It may be slightly viscous and is generally transparent, allowing for the passage of light. The compound's appearance can change upon exposure to air, which might cause a yellowing due to impurities or degradation.

Comment on solubility

Solubility of 1-isocyanato-2-(trifluoromethyl)benzene

The solubility of 1-isocyanato-2-(trifluoromethyl)benzene is influenced by several factors due to its unique chemical structure. Here are some insights into its solubility characteristics:

  • Polar vs Non-Polar: The presence of the -NCO (isocyanate) functional group contributes to some polar characteristics, which can enhance solubility in polar solvents.
  • Hydrophobic Nature: The trifluoromethyl group (-CF3) is known for its hydrophobic properties, potentially limiting solubility in water and promoting solubility in non-polar organic solvents.
  • Organic Solvent Compatibility: Common solvents where 1-isocyanato-2-(trifluoromethyl)benzene may dissolve effectively include dichloromethane, acetone, and tetrahydrofuran.
  • Environmental Interactions: The chemical’s solubility can also be influenced by environmental factors, such as temperature and solvent polarity.

In summary, while 1-isocyanato-2-(trifluoromethyl)benzene shows some solubility in polar solvents due to its isocyanate group, its overall behavior is more favorable in non-polar organic environments due to the presence of the trifluoromethyl group. This dual nature can make it an interesting compound when considering its applications in various chemical reactions and formulations.

Interesting facts

Interesting Facts about 1-Isocyanato-2-(trifluoromethyl)benzene

1-Isocyanato-2-(trifluoromethyl)benzene is a captivating compound that falls within the category of aromatic isocyanates. Here are some intriguing aspects that highlight its significance:

  • Dual Functionality: This compound features both an isocyanate group and a trifluoromethyl group. The isocyanate group (–N=C=O) is known for its reactivity, making this compound an essential building block in organic synthesis.
  • Applications in Materials Science: It is often utilized in the synthesis of polyurethanes and other polymers. The trifluoromethyl substituent enhances properties like chemical resistance and thermal stability in the final product.
  • Potential for Drug Development: Compounds containing isocyanate groups have shown promise in the development of pharmaceutical agents. The unique electronic properties conferred by the trifluoromethyl group can modify biological activity.
  • Environmental Impact: The presence of trifluoromethyl groups raises environmental concerns, as compounds containing fluorinated groups can contribute to greenhouse gas effects. Thus, understanding and managing these compounds' lifecycle becomes essential.

As illustrated, 1-Isocyanato-2-(trifluoromethyl)benzene stands out in the chemical realm due to its versatility and potential. The combination of its reactive functional groups positions it as a pivotal compound in both industrial applications and theoretical research.

Synonyms
2-(Trifluoromethyl)phenyl isocyanate
1-Isocyanato-2-(trifluoromethyl)benzene
alpha,alpha,alpha-Trifluoro-o-tolyl isocyanate
o-(Trifluoromethyl)phenyl isocyanate
UWK587J8BW
BRN 0977056
EINECS 218-925-5
ISOCYANIC ACID, (alpha,alpha,alpha-TRIFLUORO-o-TOLYL) ESTER
2-Trifluoromethylphenylaisocyanate
DTXSID10177393
Isocyanic acid, .alpha.,.alpha.,.alpha.-trifluoro-o-tolyl ester
.alpha.,.alpha.,.alpha.-Trifluoro-o-tolyl isocyanate
DTXCID3099884
Isocyanic acid, alpha,alpha,alpha-trifluoro-o-tolyl ester
gzwgtvzrrfpvas-uhfffaoysa-n
inchi=1/c8h4f3no/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h1-4
2285-12-3
Benzene, 1-isocyanato-2-(trifluoromethyl)-
2-(TRIFLUOROMETHyl)phenylisoCYANATE
o-Trifluoromethylphenylisocyanate
MFCD00002008
Isocyanatobenzotrifluoride
UNII-UWK587J8BW
trifluoro-o-tolyl isocyanate
SCHEMBL75112
trifluoromethyl-phenylisocyanate
2-trifluoromethylphenylisocyanate
2-Trifluoromethylphenyl isocyanate
2-trifluoromethyl phenyl isocyanate
a,a,a-Trifluoro-o-tolyl isocyanate
1-isocyanato-2-trifluoromethylbenzene
GEO-02396
STL185625
1-isocyanato-2-trifluoromethyl-benzene
AKOS000195679
PS-10277
1-Isocyanato-2-(trifluoromethyl)benzene #
2-(Trifluoromethyl)phenyl isocyanate, 97%
DB-019569
DB-296963
I0412
NS00048561
alpha,alpha,alpha,-trifluoro-o-tolylisocyanate
EN300-53734
D91143
Isocyanic Acid 2-(Trifluoromethyl)phenyl Ester
I+/-,I+/-,I+/--trifluoro-o-tolyl isocyanate
F2160-0018
2-Isocyanatobenzotrifluoride;alpha,alpha,alpha-Ttrifluoro-o-tolyl isocyanate