91485-85-7

Basic information

• Product Name: Carbamic acid, (3-isocyanato-4-methylphenyl)-, methyl ester
• CAS NO: 91485-85-7
• Molecular Formula: C10H10N2O3
• Molecular Weight: 206.201
• Mol File: 91485-85-7.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Carbamic acid, (3-isocyanato-4-methylphenyl)-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, (3-isocyanato-4-methylphenyl)-, methyl ester(91485-85-7)
• EPA Substance Registry System: Carbamic acid, (3-isocyanato-4-methylphenyl)-, methyl ester(91485-85-7)

Safety Data

• Hazardous Substances Data: 91485-85-7(Hazardous Substances Data)

Upstream product

• 67-56-1 methanol 
• 584-84-9 2,4-Toluene diisocyanate 

Downstream Products

• 112272-86-3 N,N'-bis-(5-methoxycarbonylamino-2-methyl-phenyl)-urea 
• 6935-99-5 2,4-bis(methoxycarbonylamino)toluene 

Relevant articles and documents

1H NMR analysis of the tolylene-2,4-diisocyanate-methanol reaction

Tolylene-2,4-diisocyanate (2,4-TDI) 1 reacts with methanol through two simultaneous paths in the polyurethane reaction, which involve two different intermediates - tolylene-4-carbamatic-2-isocyanate 2 and tolylene-2-carbamatic- 4-isocyanate 3, and the final product is tolylene-2,4-dicarbamate 4. The-CH 3 chemical shifts in benzene ring in compounds 1, 2, 3 and 4 can be easily tested and well distinguished, through which those four compounds are quantified and their kinetics are investigated. It shows that four rate constants for the tolylene-2,4-diisocyanate-methanol reaction in CCl4 at 50°C are k1 = 9.6 × 10-2 h-2 mol-2 min-1, k2 = 1.4 × 10-2 h-2 mol-2 min-1, k3 = 4.0 × 10-3 h-2 mol-2 min-1, k4 = 1.4 × 10-3 h-2 mol-2 min-1. (k1 is the reaction rate constant from compounds 1 to 2; k 2 is the reaction rate constant from compounds 1 to 3; k3 is the reaction rate constant from compounds 3 to 4; k4 is the reaction rate constant from compounds 2 to 4).