AI3-15101 | CAS#584-84-9 | Polyurethane Production

AI3-15101
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 111511

CAS#: 584-84-9

Description: 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

Instruction

Theoretical Analysis

MedKoo Cat#: 111511
Name: AI3-15101
CAS#: 584-84-9
Chemical Formula: C9H6N2O2
Exact Mass: 174.04
Molecular Weight: 174.160
Elemental Analysis: C, 62.07; H, 3.47; N, 16.09; O, 18.37

Price and Availability

Size	Price	Availability
100g	USD 550	2 Weeks
250g	USD 1250	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

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:

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

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.

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

Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Kong H, Xu Q, Yu M. Microstructural Changes of Aramid Fiber Due to Reaction with Toluene 2,4-diisocyanate under Tension in scCO2. Polymers (Basel). 2019 Jul 1;11(7):1110. doi: 10.3390/polym11071110. PMID: 31266166; PMCID: PMC6680621.

2: Xiang M, Wu L, Su H, Han B, Liu H, Xiao X, Yin X, Fan Y, Zhang L, Huang Y, Zhao L, Yang G. Biyuanling suppresses the toluene-2, 4-diisocyanate induced allergic rhinitis in guinea pigs. Oncotarget. 2017 Dec 8;9(16):12620-12629. doi: 10.18632/oncotarget.23039. PMID: 29560095; PMCID: PMC5849159.

3: Mizuguchi H, Das AK, Maeyama K, Dev S, Shahriar M, Kitamura Y, Takeda N, Fukui H. Antihistamines suppress upregulation of histidine decarboxylase gene expression with potencies different from their binding affinities for histamine H1 receptor in toluene 2,4-diisocyanate-sensitized rats. J Pharmacol Sci. 2016 Apr;130(4):212-8. doi: 10.1016/j.jphs.2016.02.002. Epub 2016 Feb 11. 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.

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