CAS 31027-31-3

4-Isopropylphenyl isocyanate

Description:

4-Isopropylphenyl isocyanate, with the CAS number 31027-31-3, is an organic compound characterized by the presence of an isocyanate functional group (-N=C=O) attached to a phenyl ring that is further substituted with an isopropyl group at the para position. This compound typically appears as a colorless to pale yellow liquid and has a distinctive odor. It is known for its reactivity, particularly in forming urethanes and other derivatives through reactions with alcohols and amines. The presence of the isocyanate group makes it a valuable intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and polymers. Additionally, 4-isopropylphenyl isocyanate may pose health hazards, as isocyanates are known to be irritants and can cause respiratory issues upon exposure. Proper handling and safety precautions are essential when working with this compound in laboratory or industrial settings.

Formula: C₁₀H₁₁NO

InChI: InChI=1S/C10H11NO/c1-8(2)9-3-5-10(6-4-9)11-7-12/h3-6,8H,1-2H3

InChI key: InChIKey=PJVRNNRZWASOIT-UHFFFAOYSA-N

SMILES: C(C)(C)C1=CC=C(N=C=O)C=C1

Synonyms:

• 1-Isocyanato-4-(1-methylethyl)benzene
• 1-Isocyanato-4-(Propan-2-Yl)Benzene
• 1-Isocyanato-4-isopropylbenzene
• 1-Isocyanato-4-propan-2-ylbenzene
• 4-(1-Methylethyl)phenylisocyanate
• Benzene, 1-isocyanato-4-(1-methylethyl)-
• Ippi
• Isocyanic acid, p-isopropylphenyl ester
• p-Cumenyl isocyanate
• p-Isopropylphenyl isocyanate
• 4-Isopropylphenyl isocyanate

4-Isopropylphenyl isocyanate, 98%

CAS: 31027-31-3

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₁₀H₁₁NO

Purity: 98%

Color and Shape: Clear colorless to yellow to orange to brown, Liquid

Molecular weight: 161.20

Ref: 02-L11217

4-Isopropylphenyl isocyanate

CAS: 31027-31-3

Formula: C₁₀H₁₁NO

Purity: 98%

Color and Shape: Liquid

Molecular weight: 161.2004

Ref: IN-DA003LLO