chempirical

Trixylenyl phosphate

C24H27O4PCAS 25155-23-1410.45 g/mol

Open in Covalent MOL file
OPOOO
Phosphate

Properties

Molecular formula
C24H27O4P
Molar mass
410.45 g/mol
Exact mass
410.1647 Da
Density
1.16 g/mL
Boiling point
243–265 °C (at 10 Torr)
logP
7.18Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
25155-23-1
SMILES
CC1=CC(=C(C=C1)OP(=O)(OC2=C(C=C(C=C2)C)C)OC3=C(C=C(C=C3)C)C)C
InChIKey
KOWVWXQNQNCRRS-UHFFFAOYSA-N
InChI
InChI=1S/C24H27O4P/c1-16-7-10-22(19(4)13-16)26-29(25,27-23-11-8-17(2)14-20(23)5)28-24-12-9-18(3)15-21(24)6/h7-15H,1-6H3

Weigh it out

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Names and synonyms

16 names · show all
  • Phenol, dimethyl-, 1,1′,1′′-phosphate
  • Xylenol, phosphate (3:1)
  • Phenol, dimethyl-, phosphate (3:1)
  • Xylyl phosphate
  • Xylyl phosphate ((C8H9O)3PO)
  • Trixylyl phosphate
  • Coalite NTP
  • Phosphoric acid trixylyl ester
  • Phosflex 179
  • TXP
  • Durad 220X
  • Antiblaze 524
  • Antiblaze TXP
  • Durad TXP
  • Fyrquel L
  • WSFR-TXP

Work with Trixylenyl phosphate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tricresyl phosphate78-30-858 % similar 2,4-Dimethylanisole6738-23-455 % similar Tri-p-cresyl phosphate78-32-052 % similar Cresyl diphenyl phosphate26444-49-550 % similar 1-Iodo-2,4-dimethylbenzene4214-28-245 % similar 2,4-Xylyloxyacetic acid13334-49-145 % similar 1,2,4-Trimethylbenzene95-63-645 % similar 2-Methoxy-1,4-dimethylbenzene1706-11-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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