CAS 2094-99-7: 1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene

Description: 1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene, also known by its CAS number 2094-99-7, is an organic compound characterized by the presence of both isocyanate and vinyl groups attached to a benzene ring. This compound features a complex structure that includes an isocyanate functional group (-N=C=O) which is known for its reactivity, particularly in forming urethanes and other derivatives through nucleophilic addition reactions. The presence of the vinyl group contributes to its potential for polymerization and further chemical reactivity. Typically, compounds of this nature are utilized in the synthesis of various polymers, coatings, and adhesives due to their ability to cross-link and enhance material properties. Additionally, the compound may exhibit moderate to high toxicity, particularly due to the isocyanate group, necessitating careful handling and appropriate safety measures in laboratory and industrial settings. Overall, its unique functional groups make it a valuable intermediate in organic synthesis and materials science.

Formula: C₁₃H₁₅NO

InChI: InChI=1S/C13H15NO/c1-10(2)11-6-5-7-12(8-11)13(3,4)14-9-15/h5-8H,1H2,2-4H3

InChI key: InChIKey=ZVEMLYIXBCTVOF-UHFFFAOYSA-N

SMILES: O=C=NC(C=1C=CC=C(C1)C(=C)C)(C)C

Synonyms:

• 1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
• 1-(1-Isocyanato-1-methylethyl)-3-isopropenylbenzene
• 1-(2-Isocyanatopropan-2-Yl)-3-(Prop-1-En-2-Yl)Benzene
• 1-(2-Isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene
• 3-Isopropenyl-alpha,alpha-dimethylbenzyl Isocyanate
• 3-Isopropenyl-α,α-dimethylbenzyl isocyanate
• Benzene, 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-
• Cytec TMI
• Dimethyl-m-isopropenylbenzyl isocyanate
• Isocyanic acid, m-isopropenyl-α,α-dimethylbenzyl ester
• N-(propan-2-ylidene)-3-(prop-1-en-2-yl)benzamide
• Takenate TMI
• m-Isoprenyl-α,α′-dimethylbenzyl isocyanate
• m-Isopropenyl-α,α-dimethylbenzyl isocyanate
• m-Isopropenylcumyl isocyanate
• m-Isopropenyldimethylbenzyl isocyanate
• m-TMI
• meta-TMI
• α,α-Dimethyl-m-isopropenylbenzyl isocyanate

3-Isopropenyl-α,α-dimethylbenzyl Isocyanate

CAS: 2094-99-7

• Formula: C₁₃H₁₅NO
• Purity: >95.0%(GC)
• Color and Shape: Colorless to Almost colorless clear liquid
• Molecular weight: 201.27

1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene

CAS: 2094-99-7

• Formula: C₁₃H₁₅NO
• Purity: 95%
• Color and Shape: Liquid
• Molecular weight: 201.2643

3-Isopropenyl-α,α-dimethylbenzyl

CAS: 2094-99-7

• Molecular weight: 201.26g/mol

3-Isopropenyl-α,α-dimethylbenzyl

CAS: 2094-99-7

3-Isopropenyl-alpha,alpha-dimethylbenzyl isocyanate is a bioactive chemical.

• Formula: C₁₃H₁₅NO
• Purity: 98%
• Color and Shape: Liquid
• Molecular weight: 201.26

a, a-Dimethyl 3-isopropenylbenzyl isocyanate

CAS: 2094-99-7

3-Isopropenylbenzyl isocyanate is a functional monomer that is used in the polymerization process. It reacts …

• Formula: C₁₃H₁₅NO
• Purity: Min. 95%
• Molecular weight: 201.26 g/mol