tris(1-chloro-2-propyl) phosphate

Synonyms: "tris(1-chloro-2-propyl) phosphate", "tris(1-chloropropan-2-yl) phosphate", "tris(1-chloro-2-propyl)phosphate", "tris(2-chloro-1-methylethyl) phosphate", "tris(2-chloroisopropyl)phosphate", "tri-(2-chloroisopropyl)phosphate", "Phosphoric acid tris(2-chloro-1-methylethyl) ester", "phosphoric acid, tris(2-chloro-1-methylethyl) ester","amgard TMCP", "hostaflam OP 820".

Source: tris(1-chloro-2-propyl) phosphate is an emulsifying agent used in the industry for the production of flame retardants, paints, varnishes, concretes and glues, which is frequently found in effluents from municipal wastewater treatment plants.

Identifiers:

IUPAC Name: tris(1-chloropropan-2-yl) phosphate
CAS Number: 13674-84-5
PubChem ID: 26176
InChiKey: KVMPUXDNESXNOH-UHFFFAOYSA-N
Canonical SMILES: CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl

Structural Properties:

Molecular Formula: C₉H₁₈Cl₃O₄P
Molecular Weight: 327.563

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 17

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Kojima H, Takeuchi S, Itoh T, Iida M, Kobayashi S, Yoshida T. 2013. In vitro endocrine disruption potential of organophosphate flame retardants via human nuclear receptors. Toxicology 314(1):76-83. DOI: 10.1016/j.tox.2013.09.004. URL: https://www.sciencedirect.com/science/article/pii/S0300483X13002412.