Diethyl chlorophosphate
An organic compound, C4H10ClO3P, 172.548 g/mol. Boiling point 60 °C @ 2 mm Hg, density 1.1915 @ 25 °C, as published.
Identifiers
- Molecular formula
- C₄H₁₀ClO₃P
- Molecular weight
- 172.548 g/mol
- Exact mass
- 172.005608 g/mol
- IUPAC name
- 1-[chloro(ethoxy)phosphoryl]oxyethane
- CCOP(=O)(Cl)OCC
- InChI=1S/C4H10ClO3P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3
- LGTLXDJOAJDFLR-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 140 °F at 2 mmHg (EPA, 1998)
- 60 °C @ 2 mm Hg
- Density
- 1.1915 at 77 °F (EPA, 1998) - Denser than water; will sink
- 1.1915 @ 25 °C
- Solubility
- Sol in alcohols
Calculated properties
- Molecular weight
- 172.55 g/mol
- Exact mass
- 172.0056089 Da
- XLogP3
- 1
- Polar surface area
- 35.5 Ų
- Complexity
- 106
- H-bond donors
- 0
- H-bond acceptors
- 3
- logP
- 2.4063
- Topological polar surface area
- 35.53 Ų
- H-bond donors
- 0
- H-bond acceptors
- 3
- Rotatable bonds
- 4
- Molar refractivity
- 36.7115 cm³/mol
- Fraction sp³ carbons
- 1
- QED drug-likeness
- 0.6112
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 9
- Total atoms, hydrogen included
- 19
- Rings
- 0
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
Other names for it
The systematic name on this record is 1-[chloro(ethoxy)phosphoryl]oxyethane.
The sources also call it Diethyl phosphorochloridate, Diethyl chlorophosphonate, Diethoxyphosphoryl chloride, Diethyl phosphorochloride, O,O-Diethyl chlorophosphate, Diethoxyphosphorus oxychloride, O,O-Diethyl chloridophosphate, Diethylchlorfosfat, DIETHYLCHLOROPHOSPHATE, Phosphorochloridic acid, diethyl ester, O,O-Diethyl chlorophosphonate.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Diethyl chlorophosphate. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
1-(2,2,4,4-Tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-one
used as a reactant
C₁₅H₂₀O₂, 232.323 g/mol.
(2,6-Dimethyl-4-methanesulfonylphenoxy)triisopropylsilane
used as a reactant
C₁₈H₃₂O₃SSi, 356.604 g/mol.
1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate
used as a reactant
C₁₃H₂₁NO₅, 271.313 g/mol.
Where these values came from
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under D
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C4H10ClO3P in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Diethyl chlorophosphate for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.