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MedKoo Cat#: 111512 | Name: 2,6-TDI
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

2,6-TDI reacts with hydroxyl groups to form carbamate links in the production of rigid polyurethane foams. Toluene 2,6-diisocyanate is 4 times less reactive as toluene 2,4-diisocyanate.

Chemical Structure

2,6-TDI
2,6-TDI
CAS#91-08-7 (2,6 isomer)

Theoretical Analysis

MedKoo Cat#: 111512

Name: 2,6-TDI

CAS#: 91-08-7 (2,6 isomer)

Chemical Formula: C9H6N2O2

Exact Mass: 174.0400

Molecular Weight: 174.16

Elemental Analysis: C, 62.07; H, 3.47; N, 16.09; O, 18.37

Price and Availability

Size Price Availability Quantity
1g USD 350.00 2 Weeks
5g USD 850.00 2 Weeks
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Related CAS #
584-84-9 (2,4 isomer) 91-08-7 (2,6 isomer)
Synonym
Toluene 2,6-diisocyanate; 2,6-Diisocyanatotoluene; 2,6-TDI; HSDB 5272; Toluene-2,6-diisocyanate; 2,6-Toluene diisocyanate; Toluene 2,6 diisocyanate;
IUPAC/Chemical Name
1,3-diisocyanato-2-methylbenzene
InChi Key
RUELTTOHQODFPA-UHFFFAOYSA-N
InChi Code
InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3
SMILES Code
CC1=C(N=C=O)C=CC=C1N=C=O
Appearance
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 174.16 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: De Palma G, Cortesi I, Ghitti R, Festa D, Bergonzi R, Apostoli P. Biological monitoring as a valid tool to assess occupational exposure to mixtures of 2,4-:2,6-toluene diisocyanate. Med Lav. 2012 Sep-Oct;103(5):361-71. PMID: 23077796. 2: Gagne S, Lesage J, Ostiguy C, Cloutier Y, Van Tra H. Quantitative determination of hexamethylene diisocyanate (HDI), 2,4-toluene diisocyanate (2,4-TDI) and 2,6-toluene diisocyanate (2,6-TDI) monomers at ppt levels in air by alkaline adduct coordination ionspray tandem mass spectrometry. J Environ Monit. 2005 Feb;7(2):145-50. doi: 10.1039/b412078g. Epub 2004 Dec 10. PMID: 15690096. 3: Gagné S, Lesage J, Ostiguy C, Van Tra H. Determination of unreacted 2,4-toluene diisocyanate (2,4TDI) and 2,6-toluene diisocyanate (2,6TDI) in foams at ultratrace level by using HPLC-CIS-MS-MS. Analyst. 2003 Dec;128(12):1447-51. doi: 10.1039/b310463j. Epub 2003 Nov 11. PMID: 14737230. 4: Sennbro CJ, Lindh CH, Tinnerberg H, Gustavsson C, Littorin M, Welinder H, Jönsson BA. Development, validation and characterization of an analytical method for the quantification of hydrolysable urinary metabolites and plasma protein adducts of 2,4- and 2,6-toluene diisocyanate, 1,5-naphthalene diisocyanate and 4,4'-methylenediphenyl diisocyanate. Biomarkers. 2003 May-Aug;8(3-4):204-17. doi: 10.1080/1354750031000090660. PMID: 12944173. 5: Kääriä K, Hirvonen A, Norppa H, Piirilä P, Vainio H, Rosenberg C. Exposure to 2,4- and 2,6-toluene diisocyanate (TDI) during production of flexible foam: determination of airborne TDI and urinary 2,4- and 2,6-toluenediamine (TDA). Analyst. 2001 Jul;126(7):1025-31. doi: 10.1039/b102022f. PMID: 11478630. 6: Shiotsuka RN, Warren DL, Halliburton AT, Sturdivant DW. A comparative respiratory sensitization study of 2,4- and 2,6-toluene diisocyanate using guinea pigs. Inhal Toxicol. 2000 Jul;12(7):605-15. doi: 10.1080/08958370050030976. PMID: 10880147. 7: Day BW, Jin R, Basalyga DM, Kramarik JA, Karol MH. Formation, solvolysis, and transcarbamoylation reactions of bis(S-glutathionyl) adducts of 2,4- and 2,6-diisocyanatotoluene. Chem Res Toxicol. 1997 Apr;10(4):424-31. doi: 10.1021/tx960201+. PMID: 9114980. 8: Lind P, Dalene M, Skarping G, Hagmar L. Toxicokinetics of 2,4- and 2,6-toluenediamine in hydrolysed urine and plasma after occupational exposure to 2,4- and 2,6- toluene diisocyanate. Occup Environ Med. 1996 Feb;53(2):94-9. doi: 10.1136/oem.53.2.94. PMID: 8777457; PMCID: PMC1128420. 9: Skarping G, Dalene M, Lind P. Determination of toluenediamine isomers by capillary gas chromatography and chemical ionization mass spectrometry with special reference to the biological monitoring of 2,4- and 2,6-toluene diisocyanate. J Chromatogr A. 1994 Mar 11;663(2):199-210. doi: 10.1016/0021-9673(94)85246-4. PMID: 8173666.

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