CAS 1591-98-6: 4-bromo-2-methylphenyl isocyanate

Description: 4-Bromo-2-methylphenyl isocyanate is an organic compound characterized by the presence of an isocyanate functional group (-N=C=O) attached to a substituted aromatic ring. The compound features a bromine atom and a methyl group on the phenyl ring, which influence its reactivity and physical properties. Typically, isocyanates are known for their high reactivity, particularly with nucleophiles, making them valuable in the synthesis of various organic compounds, including pharmaceuticals and agrochemicals. This compound is likely to be a colorless to pale yellow liquid or solid, depending on temperature and purity, and may have a pungent odor. It is important to handle 4-bromo-2-methylphenyl isocyanate with care, as isocyanates can be toxic and irritate the skin, eyes, and respiratory system. Additionally, it may undergo hydrolysis in the presence of moisture, leading to the formation of corresponding amines and carbon dioxide. Proper safety measures, including the use of personal protective equipment, are essential when working with this substance.

Formula: C₈H₆BrNO

InChI: InChI=1S/C8H6BrNO/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3

InChI key: InChIKey=NXAYRHQYINQHRF-UHFFFAOYSA-N

SMILES: O=C=NC1=CC=C(Br)C=C1C

Synonyms:

• 4-Bromo-1-Isocyanato-2-Methylbenzene
• 4-Bromo-2-methylisocyanatobenzene
• Benzene, 4-bromo-1-isocyanato-2-methyl-
• Isocyanic acid, 4-bromo-o-tolyl ester

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

CAS: 1591-98-6

• Formula: C₈H₆BrNO
• Purity: 97%
• Color and Shape: Solid
• Molecular weight: 212.0433

4-Bromo-2-methylphenyl isocyanate

CAS: 1591-98-6

• Color and Shape: White Solid
• Molecular weight: 212.04g/mol

4-Bromo-2-methylphenyl Isocyanate

CAS: 1591-98-6

Versatile small molecule scaffold

• Formula: C₈H₆BrNO
• Purity: Min. 95%
• Molecular weight: 212.04 g/mol