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Toluene-2,6-diisocyanate

View entire compound with spectra: 5 FTIR, 2 Raman, and 3 MS (GC)

Toluene-2,6-diisocyanate
SpectraBase Compound ID KOjkuaQFuJp
InChI InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3
InChIKey RUELTTOHQODFPA-UHFFFAOYSA-N
Mol Weight 174.16 g/mol
Molecular Formula C9H6N2O2
Exact Mass 174.042927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mDXUznVqVI
Name 1,3-Diisocyanato-2-methyl-benzene
Alternate Name(s) 1,3-Diisocyanato-2-methylbenzene 2,6-Diisocyanato-1-methylbenzene 2,6-Diisocyanatotoluene 2,6-TDI Benzene, 1,3-diisocyanato-2-methyl- 2,6-Toluene diisocyanate 2-Methyl-m-phenylene diisocyanate 2-Methyl-m-phenylene isocyanate 2-Methyl-meta-phenylene diisocyanate 2-Methyl-meta-phenylene isocyanate Benzene, 2,6-diisocyanato-1-methyl- Desmodur T100 Diisocyanatotoluene Hylene trf Hylene-T Isocyanic acid, 2-methyl-m-phenylene ester Isocyanic acid, 2-methyl-meta-phenylene ester Isocyanic acid, methyl-m-phenylene ester m-Tolylene diisocyanate meta-Tolylene diisocyanate Methyl-m-phenylene isocyanate Methyl-meta-phenylene diisocyanate Methylphenylene isocyanate Mondur-td Mondur-td-80 Nacconate-100 Niax isocyanate tdi Rubinate tdi Toluene-2,6-diisocyanate Toluene 2,6-Diisocyanate Tolylene 2,6-diisocyanate Tolylene isocyanate BRN 2211546 CCRIS 3741 EINECS 202-039-0 HSDB 5272 RCRA WASTE NO. U223 TDI 80-20 UN2078
CAS Registry Number 91-08-7
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Formula C9H6N2O2
InChI InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3
InChIKey RUELTTOHQODFPA-UHFFFAOYSA-N
Molecular Weight 174.159 g/mol
SMILES c1(N=C=O)cccc(c1C)N=C=O
SPLASH splash10-00xs-5900000000-e995ed29f6bb1eb69ded
Source of Spectrum W5-1989-26687-1
Wiley ID 1170477