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Vinyl chloroformate

An ester, C3H3ClO2, 106.508 g/mol.

verified record, Organic — ester, 1 measured properties

Identifiers

Molecular formula
C₃H₃ClO₂
Molecular weight
106.508 g/mol
Exact mass
105.982157 g/mol
IUPAC name
ethenyl carbonochloridate
SMILES
C=COC(=O)Cl
InChI
InChI=1S/C3H3ClO2/c1-2-6-3(4)5/h2H,1H2
InChIKey
PQLFROTZSIMBKR-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.

Vapor Pressure
45.5 [mmHg]measured · Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

Calculated properties

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

Molecular weight
106.51 g/molcalculated · reference compound database
Average mass of one molecule, from reference compound database.
Exact mass
105.982157 Dacalculated · reference compound database
Mass of the most common isotopic form.
XLogP3
1.7calculated · reference compound database
Estimated oil/water partition, computed by reference compound database.
Polar surface area
26.3 Ųcalculated · reference compound database
Polar surface area as computed by reference compound database.
Complexity
69calculated · reference compound database
A rough measure of how intricate the structure is.
H-bond donors
0calculated · reference compound database
H-bond acceptors
2calculated · reference compound database
logP
1.5053calculated · chemistry engine
Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area
26.3 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
2calculated · chemistry engine
Atoms that can accept a hydrogen bond.
Rotatable bonds
1calculated · chemistry engine
Single bonds the molecule can freely twist around.
Molar refractivity
22.531 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
0.3741calculated · 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
6
Total atoms, hydrogen included
9
Rings
0
Aromatic rings
0
Stereocentres
0
Formal charge
0

Functional groups

  • Ester

    A carbonyl bonded to an oxygen that links to another carbon.

  • Ether

    An oxygen bridging two carbons.

  • Halide (C–X)

    A halogen atom attached to carbon.

  • Alkene

    A carbon–carbon double bond.

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 Vinyl chloroformate yet.

Other names for it

The systematic name on this record is ethenyl carbonochloridate.

The sources also call it ethenyl carbonochloridate, 9DJ5DDM7G9, Carbonochloridic acid, ethenyl ester, EINECS 225-874-2, chloroformic acid vinyl ester, DTXSID30199299, RefChem:901916, DTXCID10121790, vinyl carbonochloridate, vinylchloroformate, ethenyl chloroformate.

Structurally related

Nothing structurally close to Vinyl chloroformate has a page here yet.

Seen alongside it in reaction records

Molecules that appear in the same recorded reactions as Vinyl chloroformate. 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-Dichloroethane

used as a reactant

C₂H₄Cl₂, 98.96 g/mol.

(4aRS,7aRS)-4,4-diphenyl-6-vinyloxycarbonyl perhydrothiopyrano[2,3-c]pyrrole 1,1-dioxide

formed as a product

C₂₂H₂₃NO₄S, 397.496 g/mol.

(3aRS,7aRS)-2-benzyl-7,7-bis(3-fluorophenyl)perhydro-4-isoindolone

used as a reactant

C₂₇H₂₅F₂NO, 417.499 g/mol.

1,2-Bis(methylsulfonyl)-1-(2-chloroethyl)-2-(vinyloxycarbonyl)hydrazine

formed as a product

C₇H₁₃ClN₂O₆S₂, 320.776 g/mol.

(4aRS,7aRS)-6-benzyl-4,4-diphenylperhydrothiopyrano[2,3-c]pyrrole 1,1-dioxide

used as a reactant

C₂₆H₂₇NO₂S, 417.574 g/mol.

1,2-Bis(methylsulfonyl)-1-(2-chloroethyl)-2-(2-chloroethoxycarbonyl)hydrazine

used as a reactant

C₇H₁₄Cl₂N₂O₆S₂, 357.237 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 V

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

Molar mass calculator

Work with C3H3ClO2 in a calculation, with every element's contribution shown.

Molarity calculator

Grams of Vinyl chloroformate 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.