2,6-Xylyl phosphate

CAS Registry Number®

121-06-2

CAS Name

2,6-Xylyl phosphate

Molecular Formula

C24H27O4P

Molecular Mass

410.44

Cite this Page

2,6-Xylyl phosphate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=121-06-2 (retrieved 2024-11-22) (CAS RN: 121-06-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    262-264 °C @ Press: 6 Torr

  • Melting Point (1)

    137.8 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C24H27O4P/c1-16-10-7-11-17(2)22(16)26-29(25,27-23-18(3)12-8-13-19(23)4)28-24-20(5)14-9-15-21(24)6/h7-15H,1-6H3

InChIKey

InChIKey=QLORRTLBSJTMSN-UHFFFAOYSA-N

SMILES

O(P(OC1=C(C)C=CC=C1C)(OC2=C(C)C=CC=C2C)=O)C3=C(C)C=CC=C3C

Canonical SMILES

O=P(OC=1C(=CC=CC1C)C)(OC=2C(=CC=CC2C)C)OC=3C(=CC=CC3C)C

Other Names for this Substance

  • Phenol, 2,6-dimethyl-, phosphate (3:1)
  • 2,6-Xylenol, phosphate (3:1)
  • 2,6-Xylyl phosphate
  • 2,6-Xylyl phosphate ((C8H9O)3PO)
  • Tri-2,6-xylyl phosphate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration