2-Methylphenyl cyanate

2-Methylphenyl cyanate is identified by CAS 1123-89-3 and molecular formula C8H7NO. PubChem assigns this structure CID 13346144. Its verified connectivity is represented by SMILES CC1=CC=CC=C1OC#N and InChIKey GWBSCOKVLHUIHQ-UHFFFAOYSA-N. The same substance may be referenced as o-tolyl cyanate, but the CAS number and structure identifiers provide the clearest basis for matching this catalog record.

The recorded molecule contains a methyl-substituted phenyl ring connected through oxygen to a cyanate group. In the name, the methyl substituent is at the 2-position relative to the aryl cyanate attachment. The formula accounts for eight carbon atoms, seven hydrogen atoms, one nitrogen atom, and one oxygen atom. PubChem records the neutral molecular entity without a separate counterion. The aryl O-C#N connectivity is part of the identity and should not be confused with a differently connected nitrile or isocyanate name.

This page is distinct from 2-methoxyphenyl cyanate, CAS 1125-91-3, which contains an additional oxygen atom, and from unsubstituted phenyl cyanate, CAS 1122-85-6. For an identity-based quotation or custom-synthesis enquiry, provide the full name, CAS 1123-89-3, requested quantity, and a controlling structure reference. Including PubChem CID 13346144, the SMILES, or the InChIKey helps preserve the ortho-methyl substitution and cyanate connectivity during review. This listing defines the verified chemical identity and does not establish commercial conditions.