Chemical substances are often delineated as "any material with a definite chemical composition" in most introductory general chemistry textbooks.According to this definition a chemical substance can either be a pure chemical element or a pure chemical compound. However, there are exceptions to this definition; a pure substance can also be defined as a form of matter that has both definite composition and distinct properties.The chemical substance index published by CAS also includes several alloys of uncertain composition.

Non-stoichiometric compounds are a special case that violates the law of constant composition, and for them, it is sometimes difficult to draw the line between a mixture and a compound, as in the case of palladium hydride. Broader definitions of chemicals or chemical substances can be found,such as "the term 'chemical substance' means any organic or inorganic substance of a particular molecular identity.