chempirical

Tris(2-chloroethyl) phosphite

C6H12Cl3O3PCAS 140-08-9269.48 g/mol

Open in Covalent MOL file
ClOPOClOCl
Alkyl halide

Properties

Molecular formula
C6H12Cl3O3P
Molar mass
269.48 g/mol
Exact mass
267.9590 Da
Density
1.353 g/mL (at 20 °C)
Boiling point
119 °C (at 0.15 Torr)
logP
2.98Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
9

Identifiers

CAS number
140-08-9
SMILES
ClCCOP(OCCCl)OCCCl
InChIKey
LUVCTYHBTXSAMX-UHFFFAOYSA-N
InChI
InChI=1S/C6H12Cl3O3P/c7-1-4-10-13(11-5-2-8)12-6-3-9/h1-6H2

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Names and synonyms

9 names
  • Ethanol, 2-chloro-, 1,1′,1′′-phosphite
  • Ethanol, 2-chloro-, phosphite (3:1)
  • Ethanol, 2-chloro-, phosphite
  • Tris(β-chloroethyl) phosphite
  • Tris(chloroethyl) phosphite
  • Phosphorous acid, tris(2-chloroethyl) ester
  • CLP 1
  • Tri(2-chloroethyl) phosphite
  • NSC 6514

Work with Tris(2-chloroethyl) phosphite

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

Bis(chloroethyl) ether111-44-447 % similar 1,2-Bis(2-chloroethoxy)ethane112-26-544 % similar Bis(2-chloroethoxy)methane111-91-142 % similar 2-Chloroethyl methyl ether627-42-940 % similar Tributyl phosphite102-85-236 % similar 1-Chloro-2-ethoxyethane628-34-236 % similar 2-Chloroethyl vinyl ether110-75-835 % similar Tris(2-chloroethyl) phosphate115-96-835 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook