chempirical

Tris(2-chloropropyl) phosphate

C9H18Cl3O4PCAS 6145-73-9327.56 g/mol

Open in Covalent MOL file
ClOPOOClOCl
Alkyl halidePhosphate

Properties

Molecular formula
C9H18Cl3O4P
Molar mass
327.56 g/mol
Exact mass
326.0008 Da
Density
1.29 g/mL
logP
4.03Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
9

Identifiers

CAS number
6145-73-9
SMILES
CC(Cl)COP(=O)(OCC(C)Cl)OCC(C)Cl
InChIKey
GTRSAMFYSUBAGN-UHFFFAOYSA-N
InChI
InChI=1S/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

14 names · show all
  • 1-Propanol, 2-chloro-, 1,1′,1′′-phosphate
  • 1-Propanol, 2-chloro-, phosphate (3:1)
  • Tris(β-chloropropyl) phosphate
  • AP 33
  • Pelron 9338
  • Noinen R 921
  • TMCPP
  • Tri(2-chloropropyl) phosphate
  • NSC 524664
  • Tri(β-chloropropyl) phosphate
  • TCPP
  • Antiblaze RX 35
  • Fyrol PCT
  • Roflam P

Work with Tris(2-chloropropyl) 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

Triisobutyl phosphate126-71-656 % similar Tripropyl phosphate513-08-641 % similar Tris(2,3-dibromopropyl) phosphate126-72-739 % similar Triethyl phosphate78-40-038 % similar Tris(2-ethylhexyl) phosphate78-42-238 % similar Tributyl phosphate126-73-838 % similar Tris(2-chloroethyl) phosphate115-96-836 % similar 2-Chlorobutane78-86-435 % similar

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

Same formula

Tris(2-chloroisopropyl) phosphate13674-84-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook