Toluene diisocyanate

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
CAS Number	2,4: 584-84-9 ; 2,6: 91-08-7;
3D model (JSmol)	2,4: Interactive image; 2,6: Interactive image;
Beilstein Reference	744602
ChEBI	2,4: CHEBI:53556 ; 2,6: CHEBI:53557;
ChEMBL	2,4: ChEMBL1086446 ; 2,6: ChEMBL1443390;
ChemSpider	2,4: 13835351 ; 2,6: 6773;
ECHA InfoCard	100.008.678
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 ; 2,6: 78243HXH5O;
UN number	2078
CompTox Dashboard (EPA)	2,4: DTXSID7026156 ; 2,6: DTXSID2026157;
	InChI InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3 Key: DVKJHBMWWAPEIU-UHFFFAOYSA-N ; 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
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)
Hazards
	GHS labelling:
Pictograms
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)	3 1 1
Flash point	127 °C (261 °F; 400 K)
Explosive limits	0.9–9.5%
	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)
	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). verify (what is ?) 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. Approximately 1.4 billion kilograms were produced in 2000. All isomers of TDI are colorless, although commercial samples can appear yellow.

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^Y 2,6: 91-08-7
3D model (JSmol)	2,4: Interactive image 2,6: Interactive image
Beilstein Reference	744602
ChEBI	2,4: CHEBI:53556^Y 2,6: CHEBI:53557
ChEMBL	2,4: ChEMBL1086446^Y 2,6: ChEMBL1443390
ChemSpider	2,4: 13835351^Y 2,6: 6773
ECHA InfoCard	100.008.678
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^Y 2,6: 78243HXH5O
UN number	2078
CompTox Dashboard (EPA)	2,4: DTXSID7026156 2,6: DTXSID2026157
InChI 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
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
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)
Hazards
GHS labelling:
Pictograms
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)	3 1 1
Flash point	127 °C (261 °F; 400 K)
Explosive limits	0.9–9.5%
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)
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). Y verify (what is ^YN ?) Infobox references