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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 16:07, 9 January 2012 (Saving copy of the {{chembox}} taken from revid 468760294 of page Toluene_diisocyanate for the Chem/Drugbox validation project (updated: '').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 16:07, 9 January 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 468760294 of page Toluene_diisocyanate for the Chem/Drugbox validation project (updated: '').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 468760294 of page Toluene_diisocyanate with values updated to verified values.
Toluene-2,4-diisocyanate
Toluene diisocyanate
Toluene diisocyanate
Names
IUPAC name 2,4-diisocyanato-1-methyl-benzene
Other names Tolylene diisocyanate
Methyl phenylene diisocyanate
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
RTECS number
  • CZ6300000
InChI
  • InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3Key: DVKJHBMWWAPEIU-UHFFFAOYSA-N
  • InChI=1/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3Key: DVKJHBMWWAPEIU-UHFFFAOYAL
SMILES
  • Cc1ccc(cc1\N=C=O)\N=C=O
Properties
Chemical formula C9H6N2O2
Molar mass 174.2 g/mol
Appearance Colorless to pale yellow, liquid
Density 1.214 g/cm, liquid
Melting point 21.8 °C (295.0 K)
Boiling point 251 °C (524 K)
Solubility in water Reacts
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 3: Short exposure could cause serious temporary or residual injury. E.g. chlorine gasFlammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oilInstability 1: Normally stable, but can become unstable at elevated temperatures and pressures. E.g. calciumSpecial hazards (white): no code
3 1 1
Flash point 127 °C
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Chemical compound