Toluene 2,6-diisocyanate

C₉H₆N₂O₂CAS 91-08-7174.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆N₂O₂
Molar mass: 174.16 g/mol
Exact mass: 174.0429 Da
Density: 1.22 g/mL
Melting point: 18.3 °C
Boiling point: 129–133 °C (at 18 Torr)
logP: 1.93Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

91-08-7

SMILES

Cc1c(N=C=O)cccc1N=C=O

InChIKey

RUELTTOHQODFPA-UHFFFAOYSA-N

InChI

InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names

Benzene, 1,3-diisocyanato-2-methyl-
Isocyanic acid, 2-methyl-m-phenylene ester
1,3-Diisocyanato-2-methylbenzene
2,6-Diisocyanatotoluene
m-Tolylene diisocyanate
Tolylene 2,6-diisocyanate
2-Methyl-m-phenylene isocyanate
2,6-Toluylene diisocyanate
2,6-TDI
2-Methyl-1,3-phenylene diisocyanate

Work with Toluene 2,6-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Dimethylphenyl isocyanate1591-99-778 % similar 1,5-Naphthalene diisocyanate3173-72-662 % similar 2-Methylphenyl isocyanate614-68-661 % similar 2-Chlorophenyl isocyanate3320-83-055 % similar 1-Naphthyl isocyanate86-84-053 % similar 2,6-Dimethylphenyl isocyanate28556-81-252 % similar 2,3-Dichlorophenyl isocyanate41195-90-852 % similar 1-Iodo-2-isocyanatobenzene128255-31-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Nitroso-8-hydroxyquinoline3565-26-2 4-Nitroisoquinoline36073-93-5 Toluene diisocyanate584-84-9 5-Nitroisoquinoline607-32-9 5-Nitroquinoline607-34-1 8-Nitroquinoline607-35-2 6-Nitroquinoline613-50-3 7-Nitroquinoline613-51-4

Elsewhere

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