CAS 13471-69-7

4-Isocyanato-1-methyl-2-nitrobenzene

Description:

4-Isocyanato-1-methyl-2-nitrobenzene, with the CAS number 13471-69-7, is an organic compound characterized by the presence of both isocyanate and nitro functional groups attached to a benzene ring. This compound typically appears as a yellow to brown solid and is known for its reactivity due to the isocyanate group, which can readily participate in nucleophilic addition reactions. The nitro group contributes to the compound's electron-withdrawing properties, influencing its reactivity and stability. It is often used in the synthesis of various polymers and as an intermediate in the production of dyes and pharmaceuticals. Due to the presence of both isocyanate and nitro functionalities, safety precautions are essential when handling this compound, as isocyanates are known to be toxic and can cause respiratory issues. Additionally, the compound's properties may vary based on environmental conditions such as temperature and humidity, which can affect its stability and reactivity.

Formula: C₈H₆N₂O₃

InChI: InChI=1S/C8H6N2O3/c1-6-2-3-7(9-5-11)4-8(6)10(12)13/h2-4H,1H3

InChI key: InChIKey=OIORBBLUSMONPW-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=CC(N=C=O)=CC=C1C

Synonyms:

• 2-Nitro-4-isocyanatotoluene
• 3-Nitro-4-methylphenyl isocyanate
• 4-Isocyanato-1-Methyl-2-Nitro-Benzen
• 4-Isocyanato-1-Methyl-2-Nitrobenzene
• 4-Isocyanato-2-nitrotoluene
• 4-Methyl-3-nitrophenylisocyanate 95%
• Benzene, 4-isocyanato-1-methyl-2-nitro-
• Isocyanic acid, 3-nitro-p-tolyl ester
• NSC 158456

Benzene, 4-isocyanato-1-methyl-2-nitro-

CAS: 13471-69-7

Formula: C₈H₆N₂O₃

Color and Shape: Solid

Molecular weight: 178.1448

Ref: IN-DA003LQU

4-Methyl-3-nitrophenylisocyanate

CAS: 13471-69-7

4-Methyl-3-nitrophenylisocyanate

Formula: C₈H₆N₂O₃

Purity: 95%

Color and Shape: lemon/light tan. lumpy powder

Molecular weight: 178.14g/mol

Ref: 54-OR6434

4-Methyl-3-nitrophenyl isocyanate

CAS: 13471-69-7

4-Methyl-3-nitrophenyl isocyanate (4MPN) is a chiral diisocyanate that can be used as an activated diisocyanate. 4MPN is prepared by the carbonylation of 3-nitrobenzaldehyde and xylene with hydrogen chloride in the presence of a catalyst. Impurities, such as chlorides or sulfurs, can be detected using surface methodology techniques. The feedstock for this compound is usually xylene, which has a high boiling point. This product contains reactive functional groups that can be used to modify surfaces and create polyurethane products.

Formula: C₈H₆N₂O₃

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 178.14 g/mol

Ref: 3D-FM00452