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CAS 91-97-4

:

3,3′-Dimethylbiphenyl 4,4′-diisocyanate

Description:
3,3′-Dimethylbiphenyl 4,4′-diisocyanate, commonly referred to as TDI (Toluene Diisocyanate), is an organic compound characterized by its isocyanate functional groups. It is a colorless to pale yellow liquid with a distinct odor, primarily used in the production of flexible polyurethane foams, coatings, and elastomers. The compound exhibits high reactivity, particularly with nucleophiles, making it essential in polymer chemistry. Its molecular structure consists of two aromatic rings connected by a biphenyl linkage, with two isocyanate groups located at the para positions of the phenyl rings. This configuration contributes to its chemical stability and reactivity. 3,3′-Dimethylbiphenyl 4,4′-diisocyanate is known for its potential health hazards, including respiratory irritation and sensitization, necessitating proper handling and safety precautions during use. Additionally, it is subject to regulatory controls due to its environmental impact, particularly concerning its potential to form harmful byproducts upon degradation. Overall, this compound plays a crucial role in the manufacturing of various polyurethane products while requiring careful management to mitigate health and environmental risks.
Formula:C16H12N2O2
InChI:InChI=1S/C16H12N2O2/c1-11-7-13(3-5-15(11)17-9-19)14-4-6-16(18-10-20)12(2)8-14/h3-8H,1-2H3
InChI key:InChIKey=ICLCCFKUSALICQ-UHFFFAOYSA-N
SMILES:CC=1C=C(C=CC1N=C=O)C2=CC(C)=C(N=C=O)C=C2
Synonyms:
  • 1,1′-Biphenyl, 4,4′-diisocyanato-3,3′-dimethyl-
  • 1-Isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene
  • 3,3'-Dimethyl-4,4'-Biphenylene Diisocyanate
  • 3,3-Dimethyl-4,4'-Diphenyl Diisocyanate
  • 3,3-Dimethyl-4,4-Biphenyl Diisocyanate
  • 3,3′-Bitolylene-4,4′-diisocyanate
  • 3,3′-Dimethyl-4,4′-biphenylene isocyanate
  • 3,3′-Dimethyl-4,4′-biphenylylene diisocyanate
  • 3,3′-Dimethyl-4,4′-diisocyanatobiphenyl
  • 3,3′-Dimethyl-4,4′-diphenylene diisocyanate
  • See more synonyms
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