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Phosgene

An inorganic compound, CCl2O, 98.916 g/mol. Boiling point 8.2 °C at 760 mm Hg, melting point -118 °C, as published.

verified record, Inorganic compound, 7 measured properties

Identifiers

Molecular formula
CCl₂O
Molecular weight
98.916 g/mol
Exact mass
97.93262 g/mol
IUPAC name
carbonyl dichloride
SMILES
O=C(Cl)Cl
InChI
InChI=1S/CCl2O/c2-1(3)4
InChIKey
YGYAWVDWMABLBF-UHFFFAOYSA-N
Open in ReactionLensUse in reaction prediction

Measured properties

Published measurements, each with its source. Two readings of one property are both shown, in the units each used.

Boiling Point
47 °F at 760 mmHg (EPA, 1998)measured · CAMEO Chemicals
8.2 °C at 760 mm Hgmeasured · Hazardous Substances Data Bank (HSDB)
Melting Point
-180 °F (EPA, 1998)measured · CAMEO Chemicals
-118 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Density
1.432 at 32 °F (EPA, 1998) - Denser than water; will sinkmeasured · CAMEO Chemicals
1.3719 at 25 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Solubility
Very slightly soluble (NTP, 1992)measured · CAMEO Chemicals
Slightly sol in water; freely sol in benzene, toluene, glacial acetic acid, and most liquid hydrocarbonsmeasured · Hazardous Substances Data Bank (HSDB)
Vapor Pressure
1215 mmHg at 68 °F (EPA, 1998)measured · CAMEO Chemicals
1420 mm Hg at 25 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Viscosity
6.8488X10-4 Pa.s at 263.15 Kmeasured · Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Refractive Index
Index of Refraction: 1.3561measured · Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

Molecular weight
98.91 g/molcalculated · reference compound database
Average mass of one molecule, from reference compound database.
Exact mass
97.93262 Dacalculated · reference compound database
Mass of the most common isotopic form.
XLogP3
1.8calculated · reference compound database
Estimated oil/water partition, computed by reference compound database.
Polar surface area
17.1 Ųcalculated · reference compound database
Polar surface area as computed by reference compound database.
Complexity
29calculated · reference compound database
A rough measure of how intricate the structure is.
H-bond donors
0calculated · reference compound database
H-bond acceptors
1calculated · reference compound database
logP
1.584calculated · chemistry engine
Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area
17.07 Ųcalculated · chemistry engine
Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors
0calculated · chemistry engine
Atoms that can donate a hydrogen bond.
H-bond acceptors
1calculated · chemistry engine
Atoms that can accept a hydrogen bond.
Rotatable bonds
0calculated · chemistry engine
Single bonds the molecule can freely twist around.
Molar refractivity
17.102 cm³/molcalculated · chemistry engine
Relates to the molecule's polarisability.
Fraction sp³ carbons
0calculated · chemistry engine
Share of carbon atoms with tetrahedral bonding.
QED drug-likeness
0.4211calculated · chemistry engine
Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

Structure

Heavy atoms, hydrogen excluded
4
Total atoms, hydrogen included
4
Rings
0
Aromatic rings
0
Stereocentres
0
Formal charge
0

Functional groups

  • Halide (C–X)

    A halogen atom attached to carbon.

Matched by structural pattern, not by a measurement.

The molecule in three dimensions

Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

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

No documented reaction with a written procedure and a source involves Phosgene yet.

Other names for it

The systematic name on this record is carbonyl dichloride.

The sources also call it Carbonyl dichloride, Carbonic dichloride, Phosgen, Carbon oxychloride, Chloroformyl chloride, Carbonic chloride, Carbonylchlorid, Fosgeen, Fosgen, Carbon dichloride oxide, Carbonic acid dichloride.

Structurally related

Nothing structurally close to Phosgene has a page here yet.

Seen alongside it in reaction records

Molecules that appear in the same recorded reactions as Phosgene. 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.

1,4-Dioxane

used as a reactant

C₄H₈O₂, 88.106 g/mol.

1,2-Dichloroethane

used as a reactant

C₂H₄Cl₂, 98.96 g/mol.

(2'-Ethylaminomethyl-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid ethyl ester

used as a reactant

C₂₁H₂₄F₃NO₃, 395.421 g/mol.

Where these values came from

compound record.

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 P

The rest of this shelf, a hundred names at a time.

Molar mass calculator

Work with CCl2O in a calculation, with every element's contribution shown.

Molarity calculator

Grams of Phosgene 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.