Tris(2-chloroethyl) phosphate

C₆H₁₂Cl₃O₄PCAS 115-96-8285.48 g/mol

Open in Covalent MOL file

Alkyl halide Phosphate

Properties

Molecular formula: C₆H₁₂Cl₃O₄P
Molar mass: 285.48 g/mol
Exact mass: 283.9539 Da
Density: 1.425 g/mL (at 20 °C)
Melting point: −55 °C
Boiling point: 330 °C (at 800 Torr)
Water solubility: 7 g/L
logP: 2.86Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 9

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H351 Suspected of causing cancerCarcinogenicity
H360F *** May damage fertilityReproductive toxicity
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, P501

Identifiers

CAS number

115-96-8

SMILES

O=P(OCCCl)(OCCCl)OCCCl

InChIKey

HQUQLFOMPYWACS-UHFFFAOYSA-N

InChI

InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2

Weigh it out

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

Names and synonyms

23 names · show all

Ethanol, 2-chloro-, 1,1′,1′′-phosphate
Ethanol, 2-chloro-, phosphate (3:1)
Celluflex CEF
Tris(β-chloroethyl) phosphate
Tris(chloroethyl) phosphate
Tri(β-chloroethyl) phosphate
Tri(2-chloroethyl) phosphate
Tris(2-chloroethyl) orthophosphate
Niax flame retardant 3CF
3CF
Niax 3CF
Disflamoll TCA
Fyrol CEF
Genomoll P
TCEP
Tri(chloroethyl) phosphate
Fyrol CF
CLP
Amgard TCEP
CEF
NSC 3213
Phosphoric acid tris(2-chloroethyl) ester
Roflam E

Work with Tris(2-chloroethyl) 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

Tripropyl phosphate513-08-648 % similar Tributyl phosphate126-73-844 % similar Bis(chloroethyl) ether111-44-440 % similar Tris(2-butoxyethyl) phosphate78-51-339 % similar Triethyl phosphate78-40-039 % similar Diethyl [(2-chloroethoxy)methyl]phosphonate116384-56-639 % similar 1,2-Bis(2-chloroethoxy)ethane112-26-538 % similar Bis(2-chloroethoxy)methane111-91-136 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia