Toluene diisocyanate

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. Approximately 1.4 billion kilograms were produced in 2000. All isomers of TDI are colorless, although commercial samples can appear yellow.

Toluene-2,4-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
3D model (JSmol)
744602
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.008.678
EC Number
  • 2,4: 209-544-5
  • 2,6: 202-039-0
RTECS number
  • 2,4: CZ6300000
  • 2,6: CZ6310000
UNII
UN number 2078
  • InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3 Y
    Key: DVKJHBMWWAPEIU-UHFFFAOYSA-N Y
  • 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
  • 2,4: Cc1ccc(cc1\N=C=O)\N=C=O
  • 2,6: CC1=C(C=CC=C1N=C=O)N=C=O
Properties
C9H6N2O2
Molar mass 174.2 g/mol
Appearance Colorless liquid
Odor sharp, pungent
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)
Reacts
Vapor pressure 0.01 mmHg (25°C)
Hazards
GHS labelling:
Danger
H315, H317, H318, H319, H330, H334, H335, H351, H412
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)
3
1
1
Flash point 127 °C (261 °F; 400 K)
Explosive limits 0.9–9.5%
Lethal dose or concentration (LD, LC):
14 ppm (rat, 4 hr)
13.9 ppm (guinea pig, 4 hr)
9.7 ppm (mouse, 4 hr)
11 ppm (rabbit, 4 hr)
NIOSH (US health exposure limits):
PEL (Permissible)
C 0.02 ppm (0.14 mg/m3)
REL (Recommended)
Ca
IDLH (Immediate danger)
Ca [2.5 ppm]
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).
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Infobox references
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