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124-63-0 molecular structure
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methanesulfonyl chloride

ChemBase ID: 78560
Molecular Formular: CH3ClO2S
Molecular Mass: 114.55132
Monoisotopic Mass: 113.95422802
SMILES and InChIs

SMILES:
ClS(=O)(=O)C
Canonical SMILES:
CS(=O)(=O)Cl
InChI:
InChI=1S/CH3ClO2S/c1-5(2,3)4/h1H3
InChIKey:
QARBMVPHQWIHKH-UHFFFAOYSA-N

Cite this record

CBID:78560 http://www.chembase.cn/molecule-78560.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methanesulfonyl chloride
IUPAC Traditional name
methanesulfonyl chloride
Synonyms
METHANESULFONYL CHLORIDE
Methanesulphonyl chloride
Methanesulfonyl chloride
Mesyl chloride
甲磺酰氯
甲磺酰氯
甲基磺酰氯
CAS Number
124-63-0
EC Number
204-706-1
MDL Number
MFCD00007454
Beilstein Number
506297
Merck Index
145955
PubChem SID
24874660
24870710
162043323
PubChem CID
31297
Chemspider ID
29037
Wikipedia Title
Methanesulfonyl_chloride

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.19497725  LogD (pH = 7.4) -0.19497725 
Log P -0.19497725  Molar Refractivity 20.1032 cm3
Polarizability 8.86013 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
slightly soluble, reacts in water expand Show data source
Apperance
liquid expand Show data source
Melting Point
-33°C expand Show data source
-33°C expand Show data source
Boiling Point
161°C expand Show data source
161°C (730 mmHg) expand Show data source
161°C expand Show data source
60 °C/21 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
113°C expand Show data source
235.4 °F expand Show data source
97°C(206°F) expand Show data source
Density
1.477 expand Show data source
1.48 g/mL at 25 °C(lit.) expand Show data source
1.480 expand Show data source
1.480 g/mL expand Show data source
Refractive Index
1.4520 expand Show data source
n20/D 1.452 expand Show data source
n20/D 1.452(lit.) expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
Very Toxic/Corrosive/Harmful/Irritant/Lachrymatory/Moisture Sensitive/Keep Cold/Store under Argon expand Show data source
RTECS
PB2790000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Toxic Toxic (T) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
3246 expand Show data source
UN3246 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
1 expand Show data source
I expand Show data source
Risk Statements
24/25-26-34 expand Show data source
24/25-26-34-37 expand Show data source
R:25-34 expand Show data source
Safety Statements
26-28-36/37/39-45 expand Show data source
4-9-20-23-26-27-36/37/39-45 expand Show data source
S:26-28-29-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
Main Hazard
Lachrymator,
Highly toxic,
corrosive
expand Show data source
GHS Hazard statements
H300 +H310 + H330-H314-H335 expand Show data source
H300-H310-H330-H314-H318 expand Show data source
GHS Precautionary statements
P260-P264-P280-P284-P301 + P310-P302 + P350 expand Show data source
P260-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3246 6.1/PG 1 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.0% (AT) expand Show data source
≥99% expand Show data source
≥99.0% (AT) expand Show data source
≥99.7% expand Show data source
98% expand Show data source
Grade
puriss. expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3SO2Cl expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 471259 external link
Packaging
1 L in glass bottle
5, 100, 500 mL in glass bottle
Sigma Aldrich - 527955 external link
Legal Information
Product of Arkema
Sigma Aldrich - 320382 external link
Packaging
Packaged in poly-coated bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Esters of hindered acids have been prepared via the mesyl mixed anhydride and reaction with the alcohol in the presence of DMAP: Synth. Commun., 12, 727 (1982).
  • • Reagent for conversion of alcohols to their mesylate esters. For mesylation of an acetylenic alcohol followed by displacement with an amine, see Org. Synth. Coll., 9, 46 (1998). In the presence of triethylamine, reaction occurs by way of the sulfene intermediate, which mesylates alcohols of low nucleophilicity including tert-alcohols and 2,2,2-trifluoroethanol: J. Org. Chem., 35, 3195 (1970).
  • • In pyridine, primary alcohols are converted to alkyl chlorides, via nucleophilic displacement by Cl- on the mesylate: Chem. Pharm. Bull., 24, 365 (1976); J. Org. Chem., 48, 657 (1983). In combination with LiCl in collidine, allylic alcohols are converted to chlorides without allylic rearrangement: J. Org. Chem., 36, 3044 (1971).
  • • For use in the symmetrical coupling of aryl mesylates to give biaryls, catalyzed by Dichlorobis(triphenylphosphine)nickel(II), 13930, see: J. Org. Chem., 60, 6895 (1995).
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PATENTS

PATENTS

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INTERNET

INTERNET

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