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Toluene diisocyanate (TDI)

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Identification
Molecular formula
C9H6(NCO)2
CAS number
584-84-9
IUPAC name
1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene
State
State

At room temperature, Toluene diisocyanate is a liquid.

Melting point (Celsius)
-13.00
Melting point (Kelvin)
260.00
Boiling point (Celsius)
251.00
Boiling point (Kelvin)
524.00
General information
Molecular weight
174.16g/mol
Molar mass
174.1560g/mol
Density
1.2170g/cm3
Appearence

Toluene diisocyanate (TDI) appears as a clear, colorless to pale yellow liquid with a pungent odor. It is commonly used in the production of polyurethanes.

Comment on solubility

Solubility of 1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene

1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene, due to its complex structure and the presence of isocyanate groups, exhibits unique properties affecting its solubility. Understanding its solubility can be critical for various applications.

S solubility Characteristics:

  • Polarity: The presence of isocyanate groups increases the polarity of the molecule, which can influence its solubility in polar solvents.
  • Solvent Effects: This compound may exhibit better solubility in polar aprotic solvents such as dimethylformamide (DMF) or acetonitrile.
  • Temperature Dependence: As with many organic compounds, solubility may increase with rising temperature, allowing for greater dissolution in the chosen solvent.
  • Hydrogen Bonding: The capability of this compound to engage in hydrogen bonding can significantly enhance its solubility in suitable solvents.

However, it is essential to note:

  • 1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene may have limited solubility in non-polar solvents.
  • It is advisable to conduct experimental solubility tests for precise applications or formulations.

In summary, the solubility of 1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene is influenced by various factors, and understanding these can prove invaluable in practical applications.

Interesting facts

Exploring 1-Isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene

The compound 1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene is a fascinating molecule with a range of industrial applications, particularly in the manufacturing of polyurethane products. Here are some captivating insights:

  • Isocyanate Functionality: This compound features multiple isocyanate (-N=C=O) groups, which are essential for forming strong and versatile polymer networks. The presence of these functional groups makes it a valuable building block in the creation of flexible and rigid foams, coatings, and elastomers.
  • Chemical Reactivity: The isocyanate group is known for its high reactivity, especially with alcohols and amines. This property is crucial for the synthesis of polyurethanes and contributes to its varied applications.
  • Structure-Activity Relationship: The positioning of the isocyanate functional groups on the aromatic ring enhances its reactivity and properties, indicating a well-thought-out molecular design for specific applications.
  • Environmental Considerations: As isocyanates can release hazardous vapors, handling 1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene requires adherence to strict safety protocols to minimize exposure and ensure safe use in industrial settings.
  • Research and Development: Ongoing research is focused on modifying this compound to enhance its performance in various applications, making it a subject of interest in materials science and chemical engineering.

Overall, 1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene showcases the incredible versatility of isocyanate chemistry within the field of polymer science. Its unique structure and reactivity underscore the importance of chemical compounds in developing innovative materials for modern applications.


In the words of a well-known chemist, "In chemistry, the simplest ideas can lead to the most profound results." This compound is a perfect illustration of that principle!

Synonyms
91-97-4
4,4'-Diisocyanato-3,3'-dimethylbiphenyl
Bitolylene diisocyanate
3,3'-Dimethyl-4,4'-biphenylene diisocyanate
Nacconate 200
3,3'-Dimethyl-4,4'-diphenylene diisocyanate
3,3'-Bitolylene-4,4'-diisocyanate
4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl
1,1'-BIPHENYL, 4,4'-DIISOCYANATO-3,3'-DIMETHYL-
4,4-Diisocyanato-3,3-dimethyl-1,1-biphenyl
3,3'-Dimethylbiphenyl-4,4'-diyl diisocyanate
4,4'-Diisocyanato-3,3'-bitolyl
NSC 9599
CCRIS 8907
3,3'-Dimethylbiphenyl 4,4'-diisocyanate
3,3'-Dimethyl-4,4'-biphenylene isocyanate
EINECS 202-112-7
UNII-9L950NB0HN
3,3'-Dimethyl-4,4'-biphenylylene diisocyanate
BRN 2743710
9L950NB0HN
1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene
Isocyanic acid, 3,3'-dimethyl-4,4'-biphenylene ester
NSC-9599
Isocyanic acid, 3,3'-dimethyl-4,4'-biphenylylene ester
3,3'-Dimethyl-4,4'-diphenylenediisocyanate
DTXSID7041463
EC 202-112-7
4-13-00-00424 (Beilstein Handbook Reference)
3,3'-Dimethyl-4,4'-diphenylenediisocyanate [Diisocyanates]
3,3'-DIMETHYL-4,4'-DIPHENYLENEDIISOCYANATE (DIISOCYANATES)
MFCD00019908
4,3'-bitolyl
3,4'-biphenylene isocyanate
SCHEMBL48414
3,4'-diphenylene diisocyanate
3,4'-biphenylylene diisocyanate
DTXCID5021463
NSC9599
WLN: OCNR B1 DR C1 DNCO
isocyanic acid, 3,3'-dimethyl-4,4'-biphenylylene ester (7CI,8CI)
AKOS015841996
1, 4,4'-diisocyanato-3,3'-dimethyl-
3,3'-dimethyl-4,4'-diisocyanatobiphenyl
AS-65379
3,3'-dimethyl-4,4'-diisocyanatobi-phenyl
D2051
NS00001806
D89984
4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl #
Isocyanic acid,3'-dimethyl-4,4'-biphenylene ester
3,30-DIMETHYL-4,40-BIPHENYLENE DIISOCYANATE
4,4\'-Diisocyanato-3,3\'-dimethyl-1,1\'-biphenyl
Isocyanic acid,3'-dimethyl-4,4'-biphenylylene ester
Q27272702
202-112-7