1-Methylnaphthalene

Synonyms: "alpha-Methylnaphthalene", "Methylnaphthalene", "Polymethylnaphthalene", "1-methyl-naphthalene", "alpha-methyl naphthalenes", "Methyl naphthalene", "Methyl-1-naphthalene", "1-Methyl naphthalene"

Source: 1-Methylnaphthalene is used as starting material for isomerization reactions.

Identifiers:

IUPAC Name: 1-methylnaphthalene
CAS Number: 90-12-0
PubChem ID: 7002
InChiKey: QPUYECUOLPXSFR-UHFFFAOYSA-N
Canonical SMILES: CC1=CC=CC2=CC=CC=C12

Structural Properties:

Molecular Formula: C₁₁H₁₀
Molecular Weight: 142,200

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 11

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Evidence Supporting This Chemical as an Emerging Contaminant

Baldwin, A. K., Corsi, S. R., De Cicco, L. A., Lenaker, P. L., Lutz, M. A., Sullivan, D. J., & Richards, K. D. (2016). Organic contaminants in Great Lakes tributaries: Prevalence and potential aquatic toxicity. Science of the Total Environment, 554, 42-52.

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