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MedKoo Cat#: 111511 | Name: AI3-15101
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Description:

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

AI3-15101 reacts with hydroxyl groups to form carbamate links in the production of rigid polyurethane foams. Toluene 2,4-diisocyanate is 4 times as reactive as toluene 2,6-diisocyanate.

Chemical Structure

AI3-15101
CAS#584-84-9

Theoretical Analysis

MedKoo Cat#: 111511

Name: AI3-15101

CAS#: 584-84-9

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
25g USD 350.00 2 Weeks
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Related CAS #
584-84-9 (2,4 isomer) 91-08-7 (2,6 isomer)
Synonym
Toluene 2,4-diisocyanate; AI3-15101; AI315101; AI3 15101; HSDB 874; HSDB874; HSDB-874; NSC 4791; NSC4791; NSC-4791; NSC 56759; NSC56759; NSC-56759; TDI; Toluene-2,4-diisocyanate;2,4-Toluene diisocyanate; 2,4 toluene diisocyanate; toluene 2,4 diisocyanate
IUPAC/Chemical Name
2,4-diisocyanato-1-methylbenzene
InChi Key
DVKJHBMWWAPEIU-UHFFFAOYSA-N
InChi Code
InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
SMILES Code
CC1=CC=C(N=C=O)C=C1N=C=O
Appearance
Solid powder
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
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PMID: 26980430. 4: Mizuguchi H, Orimoto N, Kadota T, Kominami T, Das AK, Sawada A, Tamada M, Miyagi K, Adachi T, Matsumoto M, Kosaka T, Kitamura Y, Takeda N, Fukui H. Suplatast tosilate alleviates nasal symptoms through the suppression of nuclear factor of activated T-cells-mediated IL-9 gene expression in toluene-2,4-diisocyanate-sensitized rats. J Pharmacol Sci. 2016 Mar;130(3):151-8. doi: 10.1016/j.jphs.2015.12.008. Epub 2016 Jan 6. PMID: 26874672. 5: Esfahani AH. Toluene 2,4-diisocyanate and bowel obstruction: occupational medicine aspect of a case report. Int J Occup Environ Med. 2013 Oct;4(4):218-20. PMID: 24141872. 6: Anderson SE, Beezhold K, Lukomska E, Richardson J, Long C, Anderson K, Franko J, Meade BJ, Beezhold DH. Expression kinetics of miRNA involved in dermal toluene 2,4-diisocyanate sensitization. J Immunotoxicol. 2014 Jul- Sep;11(3):250-9. doi: 10.3109/1547691X.2013.835891. Epub 2013 Sep 25. PMID: 24063594. 7: Shadnia S, Ahmadimanesh M, Ghazi-Khansari M, Zamani N. Intestinal obstruction in acute inhalational toluene 2,4-diisocyanate gas toxicity. Int J Occup Environ Med. 2013 Jul;4(3):164-6. PMID: 23860547. 8: Kuroda W, Kitamura Y, Mizuguchi H, Miyamoto Y, Kalubi B, Fukui H, Takeda N. Combination of leukotoriene receptor antagonist with antihistamine has an additive suppressive effect on the up-regulation of H1-receptor mRNA in the nasal mucosa of toluene 2,4-diisocyanate-sensitized rat. J Pharmacol Sci. 2013;122(1):55-8. doi: 10.1254/jphs.12250sc. Epub 2013 Apr 25. PMID: 23615224. 9: Schupp T. Modeling formation and distribution of toluene-2,4-diamine (TDA) after spillage of toluene-2,4-diisocyanate (TDI) into a river. J Hazard Mater. 2013 May 15;252-253:70-6. doi: 10.1016/j.jhazmat.2013.02.031. Epub 2013 Feb 27. PMID: 23507364. 10: Tamura T, Kimoto N. Efficacy of repeated pretreatment with olopatadine hydrochloride on rhinitis induced by intranasal instillation of toluene-2,4-diisocyanate in rats. Pharmacology. 2009;84(5):288-93. doi: 10.1159/000243718. Epub 2009 Oct 6. PMID: 19816088. 11: Dev S, Mizuguchi H, Das AK, Maeyama K, Horinaga S, Kato S, Tamada M, Hattori M, Umehara H, Fukui H. Kujin suppresses histamine signaling at the transcriptional level in toluene 2,4-diisocyanate-sensitized rats. J Pharmacol Sci. 2009 Apr;109(4):606-17. doi: 10.1254/jphs.09003fp. Epub 2009 Apr 7. PMID: 19352071. 12: Mizuguchi H, Hatano M, Matsushita C, Umehara H, Kuroda W, Kitamura Y, Takeda N, Fukui H. Repeated pre-treatment with antihistamines suppresses [corrected] transcriptional up-regulations of histamine H(1) receptor and interleukin-4 genes in toluene-2,4-diisocyanate-sensitized rats. J Pharmacol Sci. 2008 Dec;108(4):480-6. doi: 10.1254/jphs.08222fp. Epub 2008 Dec 10. Erratum in: J Pharmacol Sci.2009 Feb;109(2):324. PMID: 19075512. 13: Ahn MH, Park BJ, Kwon JH, An SH, Park JW, Jang AS, Rhim T, Park CS. Asp-Tyr- Leu-Lys tetrapeptide inhibits airway inflammation in toluene-2,4-diisocyanate- induced asthma mice. Clin Exp Allergy. 2008 Jun;38(6):1025-32. doi: 10.1111/j.1365-2222.2008.02977.x. PMID: 18498544. 14: Tamura T, Komai M. Effect of olopatadine hydrochloride, an anti-histamine drug, on rhinitis induced by intranasal instillation of toluene-2,4-diisocyanate in rats. Int Immunopharmacol. 2008 Jun;8(6):916-21. doi: 10.1016/j.intimp.2008.02.009. Epub 2008 Mar 18. PMID: 18442798. 15: Nabe T, Yamauchi K, Shinjo Y, Niwa T, Imoto K, Koda A, Kohno S. Delayed-type asthmatic response induced by repeated intratracheal exposure to toluene-2,4-diisocyanate in guinea pigs. Int Arch Allergy Immunol. 2005 Jun;137(2):115-24. doi: 10.1159/000085466. Epub 2005 Apr 25. PMID: 15855793. 16: Fuchibe K, Nabe T, Fujii M, Mizutani N, Danno K, Koda A, Kohno S. Delayed type allergic itch-associated response induced by toluene-2,4-diisocyanate in hairless mice. J Pharmacol Sci. 2003 Sep;93(1):47-54. doi: 10.1254/jphs.93.47. PMID: 14501151. 17: Timchalk C, Smith FA, Bartels MJ. Route-dependent comparative metabolism of [14C]toluene 2,4-diisocyanate and [14C]toluene 2,4-diamine in Fischer 344 rats. Toxicol Appl Pharmacol. 1994 Feb;124(2):181-90. doi: 10.1006/taap.1994.1022. PMID: 8122263. 18: Sugawara Y, Okamoto Y, Sawahate T, Tanaka K. [Toluene 2,4-diisocyanate induced late asthmatic response and dual asthmatic response in guinea pigs]. Arerugi. 1993 Mar;42(3 Pt 1):177-85. Japanese. PMID: 8388682. 19: Saito T, Nagai F. Immobilization of antibody to a plastic surface by toluene 2,4-diisocyanate and its application to radioimmunoassay. Clin Chim Acta. 1983 Oct 14;133(3):301-10. doi: 10.1016/0009-8981(83)90275-9. PMID: 6313260. 20: Mahan DE, Copeland RL Jr. A method using toluene-2,4-diisocyanate and glutaraldehyde to stabilize and conjugate antigens to erythrocytes for use in passive hemagglutination tests. J Immunol Methods. 1978;19(2-3):217-25. doi: 10.1016/0022-1759(78)90181-3. PMID: 203632.