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Toluene diisocyanate information


Toluene-2,4-diisocyanate
Toluene diisocyanate
Ball and stick model of toluene diisocyanate
Names
Preferred IUPAC name
2,4-Diisocyanato-1-methylbenzene
Other names
Toluene diisocyanate
Toluene-2,4-diisocyanate
Methyl phenylene diisocyanate
Benzylene 2,4-diisocyanate
2,4-Di(nitrogencarbonyl)toluene
Identifiers
CAS Number
  • 2,4: 584-84-9 checkY
  • 2,6: 91-08-7
3D model (JSmol)
  • 2,4: Interactive image
  • 2,6: Interactive image
Beilstein Reference
744602
ChEBI
  • 2,4: CHEBI:53556 checkY
  • 2,6: CHEBI:53557
ChEMBL
  • 2,4: ChEMBL1086446 checkY
  • 2,6: ChEMBL1443390
ChemSpider
  • 2,4: 13835351 checkY
  • 2,6: 6773
ECHA InfoCard 100.008.678 Edit this at Wikidata
EC Number
  • 2,4: 209-544-5
  • 2,6: 202-039-0
PubChem CID
  • 2,4: 11443
  • 2,6: 7040
RTECS number
  • 2,4: CZ6300000
  • 2,6: CZ6310000
UNII
  • 2,4: 17X7AFZ1GH checkY
  • 2,6: 78243HXH5O
UN number 2078
CompTox Dashboard (EPA)
  • 2,4: DTXSID7026156 Edit this at Wikidata
  • 2,6: DTXSID2026157
InChI
  • InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3 checkY
    Key: DVKJHBMWWAPEIU-UHFFFAOYSA-N checkY
  • 2,4: InChI=1/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
    Key: DVKJHBMWWAPEIU-UHFFFAOYAL
  • 2,6: InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3
    Key: RUELTTOHQODFPA-UHFFFAOYSA-N
SMILES
  • 2,4: Cc1ccc(cc1\N=C=O)\N=C=O
  • 2,6: CC1=C(C=CC=C1N=C=O)N=C=O
Properties
Chemical formula
C9H6N2O2
Molar mass 174.2 g/mol
Appearance Colorless liquid
Odor sharp, pungent[1]
Density 1.214 g/cm3, liquid
Melting point 21.8 °C (71.2 °F; 294.9 K)
Boiling point 251 °C (484 °F; 524 K)
Solubility in water
Reacts
Vapor pressure 0.01 mmHg (25°C)[1]
Hazards
GHS labelling:
Pictograms
GHS05: CorrosiveGHS06: ToxicGHS07: Exclamation markGHS08: Health hazard
Signal word
Danger
Hazard statements
H315, H317, H318, H319, H330, H334, H335, H351, H412
Precautionary statements
P201, P202, P260, P261, P264, P271, P272, P273, P280, P281, P284, P285, P302+P352, P304+P340, P304+P341, P305+P351+P338, P308+P313, P310, P312, P320, P321, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, P501
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 (261 °F; 400 K)
Explosive limits 0.9–9.5%[1]
Lethal dose or concentration (LD, LC):
LC50 (median concentration)
14 ppm (rat, 4 hr)
13.9 ppm (guinea pig, 4 hr)
9.7 ppm (mouse, 4 hr)
11 ppm (rabbit, 4 hr)[2]
NIOSH (US health exposure limits):
PEL (Permissible)
C 0.02 ppm (0.14 mg/m3)[1]
REL (Recommended)
Ca[1]
IDLH (Immediate danger)
Ca [2.5 ppm][1]
Related compounds
Related isocyanates
Methylene diphenyl diisocyanate
Naphthalene diisocyanate, 1,3-Diisocyanatobenzene
Related compounds
Polyurethane
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
checkY verify (what is checkY☒N ?)
Infobox references

Toluene diisocyanate (TDI) is an organic compound with the formula CH3C6H3(NCO)2. Two of the six possible isomers are commercially important: 2,4-TDI (CAS: 584-84-9) and 2,6-TDI (CAS: 91-08-7). 2,4-TDI is produced in the pure state, but TDI is often marketed as 80/20 and 65/35 mixtures of the 2,4 and 2,6 isomers respectively. It is produced on a large scale, accounting for 34.1% of the global isocyanate market in 2000, second only to MDI.[3] Approximately 1.4 billion kilograms were produced in 2000.[4] All isomers of TDI are colorless, although commercial samples can appear yellow.

  1. ^ a b c d e f NIOSH Pocket Guide to Chemical Hazards. "#0621". National Institute for Occupational Safety and Health (NIOSH).
  2. ^ "Toluene-2,4-diisocyanate". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).
  3. ^ Randall, D.; Lee, S. (2003). The Polyurethanes Book. New York: Wiley. ISBN 978-0-470-85041-1.
  4. ^ Cite error: The named reference Ullmann was invoked but never defined (see the help page).

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Toluene diisocyanate

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Hanwha Group

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PTT Public Company Limited

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Carbamate

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