Mesyl chloride

Athanor · official

CH₃ClO₂S · 114.55 g/mol

IUPAC name: methanesulfonyl chloride

Also called MsCl, methanesulfonyl chloride

Reagents

Open in Athanor

Drawn from its SMILES with RDKit

DangerMay be corrosive to metals · Fatal if swallowed · Toxic if swallowed or in contact with skin · Toxic if swallowed · Harmful if swallowed · Toxic in contact with skin · Harmful in contact with skin · Causes severe skin burns and eye damage · May cause an allergic skin reaction · Causes serious eye damage · Fatal if inhaled · May cause respiratory irritation · Harmful to aquatic life with long lasting effects

Names and identifiers

IUPAC name: methanesulfonyl chloride
Synonyms: MsCl, methanesulfonyl chloride, Methanesulfonyl chloride
+ 36 more
Methanesulphonyl chloride, Methyl sulfochloride, METHYLSULFONYL CHLORIDE, Chloro methyl sulfone, Methanesulfonic acid chloride, Methanesulfuryl chloride, Methyl sulfonyl chloride, Chloromethyl sulfone, DTXSID1021615, METHANE SULFONYL CHLORIDE, B17EWY1R7Q, NSC-15039, DTXCID601615, RefChem:156944, 204-706-1, Mesylchloride, NSC 15039, methane sulfonylchloride, CH3SO2Cl, MFCD00007454, MethanesulfonylChloride-d3, HSDB 5605, CH3ClO2S, EINECS 204-706-1, UN3246, UNII-B17EWY1R7Q, Mesylchoride, mesyl chlorid, AI3-52234, Methansulfonylchlorid, Ms-Cl, ClSO2Me, MeSO2Cl, methanesufonylchloride, methanesulfonylchlorid, methylsulfonylchloride
Molecular formula: CH₃ClO₂S
Empirical formula: CH₃ClO₂S
Molecular weight: 114.55 g/mol
Exact mass: 113.95423
CAS number: 124-63-0
PubChem CID: 31297
Canonical SMILES: CS(=O)(=O)Cl
Isomeric SMILES: CS(=O)(=O)Cl
InChI: InChI=1S/CH3ClO2S/c1-5(2,3)4/h1H3
InChIKey: QARBMVPHQWIHKH-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity

Appearance: Pale yellow liquid[4]
4 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Methanesulfonyl chloride appears as a pale yellow corrosive liquid. More dense than water and insoluble in water. Very toxic by ingestion, inhalation, or skin absorption. [1] CAMEO Chemicals
– Liquid; CBI [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS-TO-PALE-YELLOW LIQUID WITH PUNGENT ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown Pale yellow liquid [4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 718
Odor: Unpleasant odor[4]
Melting point: -32 °C[3]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
−32 °C Freezing point: -32 °C [4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 718
−32 °Cshown -32 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−32 °C -32 °C [5] PAC Chemical Database, U.S. Department of Energy
Boiling point: Reported, but no value passed the checks.
The value and why
at 97.3kPa: 161 °C (could not be read; source [3])
Density: 1.4805 @ 18°C[5]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– Relative density (water = 1): 1.5 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown 1.4805 @ 18°C [5] PAC Chemical Database, U.S. Department of Energy
Solubility in water: Solubility in water: reaction[3]
2 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– Soluble in most organic solvents [4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 718
–shown Solubility in water: reaction [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure: 3.09 mmHg at 25 °C[4]
3 values
Sources disagree; from Hazardous Substances Data Bank (HSDB), the most authoritative.
Value As written Source
3.09 mmHgshown 3.09 mm Hg at 25 °C [4] Hazardous Substances Data Bank (HSDB)cites US EPA; Estimation Program Interface (EPI) Suite. Ver.3.12. Nov 30, 2004. Available from, as of June 16, 2006: https://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
2 mmHg Vapor pressure, kPa at 20 °C: 0.27 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
18 mmHg 18 [mm Hg] @62 °C [5] PAC Chemical Database, U.S. Department of Energy
Flash point: >110 °C[3]
Viscosity: Reported, but no value passed the checks.
The value and why
1.33 centistokes at 25 °C (could not be read; source [4])

Value	As written	Source
–	Methanesulfonyl chloride appears as a pale yellow corrosive liquid. More dense than water and insoluble in water. Very toxic by ingestion, inhalation, or skin absorption.	[1] CAMEO Chemicals
–	Liquid; CBI	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS-TO-PALE-YELLOW LIQUID WITH PUNGENT ODOUR.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown	Pale yellow liquid	[4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 718

Value	As written	Source
−32 °C	Freezing point: -32 °C	[4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 718
−32 °Cshown	-32 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−32 °C	-32 °C	[5] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
–	Relative density (water = 1): 1.5	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown	1.4805 @ 18°C	[5] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
–	Soluble in most organic solvents	[4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 718
–shown	Solubility in water: reaction	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
3.09 mmHgshown	3.09 mm Hg at 25 °C	[4] Hazardous Substances Data Bank (HSDB)cites US EPA; Estimation Program Interface (EPI) Suite. Ver.3.12. Nov 30, 2004. Available from, as of June 16, 2006: https://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
2 mmHg	Vapor pressure, kPa at 20 °C: 0.27	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
18 mmHg	18 [mm Hg] @62 °C	[5] PAC Chemical Database, U.S. Department of Energy

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 5
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 1
H-bond donors: 0
H-bond acceptors: 2
Rotatable bonds: 0
TPSA (Å²): 34.1 computed here · PubChem 42.5
Formal charge: 0
XLogP3: 0.4 PubChem
Complexity: 95 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: Cs of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C10.49%
H2.64%
Cl30.95%
O27.93%
S27.99%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: 0.18 Crippen (Wildman and Crippen 1999)
log S (water solubility): -0.67 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 2.22 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 114.55
log P ≤ 5 (Crippen): 0.18
H-bond donors ≤ 5: 0
H-bond acceptors ≤ 10: 2

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Most widely reported: 314 company reports to ECHA. Source [6].

Corrosive
Acute toxicity
Harmful or irritant

H290May be corrosive to metals (47.5% of reports)
H300Fatal if swallowed (15% of reports)
H301+H311Toxic if swallowed or in contact with skin (20.7% of reports)
H301Toxic if swallowed (72.9% of reports)
H302Harmful if swallowed (11.8% of reports)
H311Toxic in contact with skin (86% of reports)
H312Harmful in contact with skin (12.4% of reports)
H314Causes severe skin burns and eye damage
H317May cause an allergic skin reaction (22.6% of reports)
H318Causes serious eye damage (75.8% of reports)
H330Fatal if inhaled
H335May cause respiratory irritation (66.9% of reports)
H412Harmful to aquatic life with long lasting effects (12.7% of reports)

Precautionary statements: P234, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P390, P403+P233, P405, P406, P501

First aid

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: Refer to the "General First Aid" section. Specific First Aid: For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. Removal of solidified molten material from skin requires medical assistance. (ERG, 2024)[1]
General First Aid: · Call 911 or emergency medical service. · Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination. · Move victim to fresh air if it can be done safely. · Administer oxygen if breathing is difficult. · If victim is not breathing: -- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance. -- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped…[7]
Fresh air, rest. Refer immediately for medical attention.[3]
Wear protective gloves when administering first aid. Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer immediately for medical attention.[3]

Storage

Separated from food and feedstuffs and incompatible materials. Dry. Well closed. Keep in a well-ventilated room. Store in an area without drain or sewer access.[3]

Safety data sheets on the supplier’s page: Angene Chemical, AA BLOCKS, Glentham Life Sciences Ltd..

Always read the supplier’s safety data sheet before working with it.

Spectra

NMRHazardous Substances Data Bank (HSDB) · NMRShiftDB
1H NMRSpectraBase (Varian A-60)
13C NMRSpectraBase
17O NMRSpectraBase
GC-MSNIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center · SpectraBase
Other MSHazardous Substances Data Bank (HSDB)
IRHazardous Substances Data Bank (HSDB)
FTIRSpectraBase (Layer between KBr)
ATR-IRSpectraBase
Near IRSpectraBase (BRUKER IFS 88 · NIR Spectrometer= INSTRUMENT PARAMETERS=INST=BRUKER,RSN=19471,REO=2,CNM=HEI,ZFF=2)
Vapor Phase IRSpectraBase (DIGILAB FTS-14 · Vapor Phase)
RamanHazardous Substances Data Bank (HSDB) · SpectraBase (Thermo Nicolet FT-Raman 960 · FT-Raman)

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
[2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
[3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[4]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[5]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[6]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[7]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
[8]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[9]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[10]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.