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Chlorosulfonic acid

An inorganic compound, HClO3S, 116.525 g/mol. Boiling point 311 °F at 760 mmHg, melting point -80 °C, as published.

verified record, Inorganic compound, 6 measured properties

Identifiers

Molecular formula
HClO₃S
Molecular weight
116.525 g/mol
Exact mass
115.933493 g/mol
IUPAC name
sulfurochloridic acid
SMILES
O=S(=O)(O)Cl
InChI
InChI=1S/ClHO3S/c1-5(2,3)4/h(H,2,3,4)
InChIKey
XTHPWXDJESJLNJ-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
311 °F at 760 mmHg (USCG, 1999)measured · CAMEO Chemicals
151-152 °C AT 755 MM HG; 74-75 °C AT 19 MM HG; 60-64 °C AT 2-4 MM HGmeasured · Hazardous Substances Data Bank (HSDB)
Melting Point
-112 °F (USCG, 1999)measured · CAMEO Chemicals
-80 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Density
1.75 at 68 °F (USCG, 1999) - Denser than water; will sinkmeasured · CAMEO Chemicals
SPECIFIC GRAVITY: 1.76-1.77 AT 20 °C/20 °C; 1.784 AT 0 °C/4 °C; 1.753 AT 20 °C/4 °C.measured · Hazardous Substances Data Bank (HSDB)
Solubility
/COMMON SOLVENTS INCLUDE/ LIQUID SULFUR DIOXIDE, PYRIDINE, & DICHLOROETHANE.measured · Hazardous Substances Data Bank (HSDB)
Solubility in water: reactionmeasured · ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor Pressure
1.55 mmHg (USCG, 1999)measured · CAMEO Chemicals
0.75 [mmHg]measured · Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
Refractive Index
INDEX OF REFRACTION: 1.437 AT 14 °C/Dmeasured · Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 334

Calculated properties

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

Molecular weight
116.53 g/molcalculated · reference compound database
Average mass of one molecule, from reference compound database.
Exact mass
115.9334928 Dacalculated · reference compound database
Mass of the most common isotopic form.
XLogP3
-0.1calculated · reference compound database
Estimated oil/water partition, computed by reference compound database.
Polar surface area
62.8 Ųcalculated · reference compound database
Polar surface area as computed by reference compound database.
Complexity
92calculated · reference compound database
A rough measure of how intricate the structure is.
H-bond donors
1calculated · reference compound database
H-bond acceptors
3calculated · reference compound database
logP
0.028calculated · chemistry engine
Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area
54.37 Ųcalculated · chemistry engine
Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors
1calculated · chemistry engine
Atoms that can donate a hydrogen bond.
H-bond acceptors
2calculated · chemistry engine
Atoms that can accept a hydrogen bond.
Rotatable bonds
0calculated · chemistry engine
Single bonds the molecule can freely twist around.
Molar refractivity
17.4016 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
0.3589calculated · 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
5
Total atoms, hydrogen included
6
Rings
0
Aromatic rings
0
Stereocentres
0
Formal charge
0

Functional groups

  • Sulfonic acid

    A sulfur bonded to three oxygens including an –OH.

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 Chlorosulfonic acid yet.

Other names for it

The systematic name on this record is sulfurochloridic acid.

The sources also call it Chlorosulfuric acid, Sulfuric chlorohydrin, Chlorosulphonic acid, Monochlorosulfuric acid, Sulfonic acid, monochloride, 2O9AXL1TJ4, DTXSID1029706, RefChem:125517, DTXCID709706, sulfurochloridic acid, Chlorosulphuric acid.

Structurally related

Nothing structurally close to Chlorosulfonic acid has a page here yet.

Seen alongside it in reaction records

Molecules that appear in the same recorded reactions as Chlorosulfonic acid. 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.

1,1-Dichloroethane

used as a reactant

C₂H₄Cl₂, 98.96 g/mol.

1,6-Diphenylpyrimidine-2,4(1H,3H)-dione

used as a reactant

C₁₆H₁₂N₂O₂, 264.284 g/mol.

1,4-Benzodioxan

used as a reactant

C₈H₈O₂, 136.15 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 C

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

Molar mass calculator

Work with HClO3S in a calculation, with every element's contribution shown.

Molarity calculator

Grams of Chlorosulfonic acid 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.