2-chloro-4-methylphenol

Synonyms: "2-chloro-p-cresol"

Source: 2-chloro-4-methylphenol is a valuable intermediate for the preparation of crop protection agents and pharmaceuticals.

Identifiers:

IUPAC Name: 2-chloro-4-methylphenol
CAS Number: 6640-27-3
PubChem ID: 14851
InChiKey: AQJFATAFTQCRGC-UHFFFAOYSA-N
Canonical SMILES: CC1=CC(=C(C=C1)O)Cl

Structural Properties:

Molecular Formula: C₇H₇ClO
Molecular Weight: 142.583

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 9

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Blair RM, Fang H, Branham WS, Hass BS, Dial SL, Moland CL, Tong W, Shi L, Perkins R, Sheehan DM. 2000. The estrogen receptor relative binding affinities of 188 natural and xenochemicals: structural diversity of ligands. Toxicol Sci 54(1):138-153.