Methanesulfonyl chloride
CH3ClO2S, 114.553 g/mol. Its structure, the values that were measured, the values that were calculated, and where each one came from.
Identifiers
- Molecular formula
- CH₃ClO₂S
- Molecular weight
- 114.553 g/mol
- Exact mass
- 113.954228 g/mol
- IUPAC name
- methanesulfonyl chloride
- CS(=O)(=O)Cl
- InChI=1S/CH3ClO2S/c1-5(2,3)4/h1H3
- QARBMVPHQWIHKH-UHFFFAOYSA-N
Measured properties
Values somebody obtained from a sample and published. Where two sources report the same property they are both shown, in the units each used — a disagreement between them is information, and averaging it away would be inventing a number neither one gave.
- Boiling Point
- 62 °C at 18 mm Hg; 161 °C at 730 mm Hg
- at 97.3kPa: 161 °C
- Melting Point
- Freezing point: -32 °C
- -32 °C
- Density
- 1.4805 at 18 °C/4 °C
- Relative density (water = 1): 1.5
- Solubility
- Soluble in most organic solvents
- Practically insoluble in water; soluble in alcohol, ether
- Vapor Pressure
- 3.09 [mmHg]
- 3.09 mm Hg at 25 °C
- Flash Point
- >110 °C
- Viscosity
- 1.33 centistokes at 25 °C
- Refractive Index
- Index of refraction: 1.451 at 23 °C/D
- Index of refraction: 1.4573 at 20 °C/D
Calculated properties
Derived from the structure rather than from a sample. These are reproducible and they are not measurements: a calculated partition coefficient and a measured one can differ by a long way, and where both exist they are listed apart on purpose.
- Molecular weight
- 114.55 g/mol
- Exact mass
- 113.9542282 Da
- XLogP3
- 0.4
- Polar surface area
- 42.5 Ų
- Complexity
- 95
- H-bond donors
- 0
- H-bond acceptors
- 2
- logP
- 0.1848
- Topological polar surface area
- 34.14 Ų
- H-bond donors
- 0
- H-bond acceptors
- 2
- Rotatable bonds
- 0
- Molar refractivity
- 20.6968 cm³/mol
- Fraction sp³ carbons
- 1
- QED drug-likeness
- 0.4214
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 5
- Total atoms, hydrogen included
- 8
- 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 methanesulfonyl chloride.
The sources also call it Mesyl chloride, Methanesulphonyl chloride, Methyl sulfochloride, METHYLSULFONYL CHLORIDE, Chloro methyl sulfone, Methanesulfonic acid chloride, Methanesulfuryl chloride, Methyl sulfonyl chloride, Chloromethyl sulfone, DTXSID1021615, METHANE SULFONYL CHLORIDE.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Methanesulfonyl chloride. 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.
(4-benzyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl) methanesulfonate
formed as a product
C₁₄H₁₇NO₅S, 311.359 g/mol.
(RS)-1-(7-methoxy-4,4-dimethyl-1,4-dihydro-indeno[2,1-c]pyrazol-1-yl)-propan-2-ol
used as a reactant
C₁₆H₂₀N₂O₂, 272.348 g/mol.
(RS)-1-(2-azido-propyl)-7-methoxy-4,4-dimethyl-1,4-dihydro-indeno[2,1-c]pyrazole
formed as a product
C₁₆H₁₉N₅O, 297.362 g/mol.
(3-Amino-4-benzyloxy-phenoxy)-acetonitrile
used as a reactant
C₁₅H₁₄N₂O₂, 254.289 g/mol.
Where these values came from
chemistry engine
What this page does not claim
The identifiers are what the source record holds, copied rather than recomputed. Measured values are reported as their source gave them, units and all; calculated values are marked as calculated and are not measurements. Where a field is absent the page says so, because a blank cell reads as a zero and a guessed value reads as a fact.
Nothing here is a hazard assessment, a purity statement or advice about handling a sample. A flash point quoted from a safety database is a number somebody published, not a judgement by us about whether this molecule is safe for what you intend.