Toluene diisocyanate
Properties
- Molecular formula
- C9H6N2O2
- Molar mass
- 174.16 g/mol
- Exact mass
- 174.0429 Da
- Density
- 1.2244 g/mL (at 20 °C)
- Melting point
- 19.5–21.5 °C
- Boiling point
- 251 °C
- logP
- 1.93Crippen estimate
- Polar surface area
- 58.9 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Identifiers
CAS number
584-84-9SMILES
Cc1ccc(N=C=O)cc1N=C=OInChIKey
DVKJHBMWWAPEIU-UHFFFAOYSA-NInChI
InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
18 names · show all
- 2,4-Diisocyanatotoluene
- Toluene 2,4-diisocyanate
- 2,4-Toluene diisocyanate
- 4-Methyl-m-phenylene isocyanate
- 4-Methyl-m-phenylene diisocyanate
- Benzene, 2,4-diisocyanato-1-methyl-
- Isocyanic acid, 4-methyl-m-phenylene ester
- 2,4-Diisocyanato-1-methylbenzene
- 2,4-Tolylene diisocyanate
- 2,4-Toluylene diisocyanate
- 2,4-TDI
- 4-Methyl-1,3-phenylene diisocyanate
- 1,3-Diisocyanato-4-methylbenzene
- NSC 4791
- NSC 56759
- TDI 100
- TDI T 100
- T 100
Work with Toluene diisocyanate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,5-Dimethylphenyl isocyanate40397-98-668 % similar
3-Chloro-4-methylphenyl isocyanate28479-22-366 % similar
3-Fluoro-4-methylphenyl isocyanate102561-42-264 % similar
5-Fluoro-2-methylphenyl isocyanate67191-93-964 % similar
2-Methylphenyl isocyanate614-68-658 % similar
4-Isocyanato-1-methyl-2-nitrobenzene13471-69-755 % similar
3,3′-Dimethylbiphenyl 4,4′-diisocyanate91-97-455 % similar
2,3-Dimethylphenyl isocyanate1591-99-753 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds