8.08264

Toluylene diisocyanate

(mixture of isomeres) for synthesis

• Synonym(s): Toluylene diisocyanate, 4-Methyl-m-phenylene diisocyanate, TDI
• Linear Formula: (NCO)₂C₆H₃CH₃
• CAS Number: 26471-62-5
• Molecular Weight: 174.16
• MDL number: MFCD00002011
• UNSPSC Code: 12352118
• EC Index Number: 247-722-4
• NACRES: NA.22

Properties

• vapor pressure: 0.03 hPa ( 20 °C)
• Quality Level: 200
• form: liquid
• autoignition temp.: 620 °C
• potency: 4130 mg/kg LD₅₀, oral (Rat); >12200 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 0.9-9.5 % (v/v)
• bp: 247 °C/1013 hPa
• mp: 12-14 °C
• transition temp: flash point 132 °C
• density: 1.22 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: N(=C=O)c1c(ccc(c1)N=C=O)C
• InChI: 1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
• InChI key: DVKJHBMWWAPEIU-UHFFFAOYSA-N

Description

Application

• Preparation and properties of toluene-diisocyanate-trimer-modified epoxy resin: Discusses the enhancement of epoxy resin properties through the self-polymerization of TDI, aiming to improve performance in industrial applications (X Zhang, L Qiao, X Lu, L Jiang, T Cao, 2019).


• A simple method for the quantification of free isocyanates on the surface of cellulose nanocrystals: This research focuses on the carbamation of cellulose using TDI, which is critical for the modification and enhancement of nanocellulose surfaces for various applications (H Abushammala, 2019).


• Fluorescent linear polyurea based on toluene diisocyanate: Reports the preparation of a TDI-based polyurea that exhibits broad emission spectra, suggesting potential uses in sensor applications and material science (H Cao, B Li, X Jiang, X Zhu, XZ Kong, 2020).

Analysis Note

Assay isomers (GC, area%): ≥ 98.0 % (a/a)
Assay Toluylene-2,6-diisocyanate (NMR): 10.0 - 30.0 % (a/a)
Assay Toluylene-2,4-diisocyanate (NMR): 70.0 - 90.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.218 - 1.222
Identity (IR): passes test
Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt.

Safety Information

• Pictograms: GHS06,GHS08
• Signal Word: Danger
• Hazard Statements: H315 - H317 - H319 - H330 - H334 - H335 - H351 - H412
• Precautionary Statements: P201 - P273 - P280 - P302 + P352 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 1 Inhalation - Aquatic Chronic 3 - Carc. 2 - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1A - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 2
• Flash Point(F): 269.6 °F - closed cup
• Flash Point(C): 132 °C - closed cup