Cyclopropanesulfonyl fluoride - ≥95% , CAS No.822-49-1

CAS: 822-49-1 Cat. No.: C467424 Molecular Weight: 124.13 EC Number: 809-776-2
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
SCHEMBL5073864 | cyclopropanesulfonylfluoride | Cyclopropylsulfonyl fluoride | cyclopropanesulfonyl fluoride | AT20657 | DTXSID801307609 | AKOS037478153 | EN300-216223 | VS-0001 | Cyclopropanesulfonyl fluoride, 95% | C3H5FO2S | MFCD20233268
Storage
Room temperature
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Size
Status
Price
Qty
1g
C467424-1g
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Description

Sulfonyl fluoride motif can be used as a connector for the assembly of -SO2- linked small molecules with proteins or nucleic acids. This new click chemistry approach through sulfates is a complimentary approach to using amides and phosphate groups as linkers.

Specifications

Synonyms
SCHEMBL5073864 | cyclopropanesulfonylfluoride | Cyclopropylsulfonyl fluoride | cyclopropanesulfonyl fluoride | AT20657 | DTXSID801307609 | AKOS037478153 | EN300-216223 | VS-0001 | Cyclopropanesulfonyl fluoride, 95% | C3H5FO2S | MFCD20233268
Specifications & Purity
≥95%
Storage
Room temperature
Purity
≥95%
Names and Identifiers
Canonical SmilesC1CC1S(=O)(=O)F
IUPAC Namecyclopropanesulfonyl fluoride
InChIKeyXPOPREDCDIARJH-UHFFFAOYSA-N
INCHI1S/C3H5FO2S/c4-7(5,6)3-1-2-3/h3H,1-2H2
Isomeric SMILES C1CC1S(=O)(=O)F
UN Number 3265
Molecular Weight 124.13
Reaxy-Rn 3234055
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3234055&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganohalogen compounds
ClassSulfonyl halides
SubclassSulfonyl fluorides
Intermediate Tree Nodes Not available
Direct ParentSulfonyl fluorides
Alternative Parents Sulfonyls  Organosulfonic acids and derivatives  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Sulfonyl - Sulfonyl fluoride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as sulfonyl fluorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a fluorine atom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Refractive Indexn/D 1.407
Flash Point(°F)148.0 °F
Flash Point(°C)64.44 °C
Molecular Weight124.140 g/mol
XLogP30.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass123.999 Da
Monoisotopic Mass123.999 Da
Topological Polar Surface Area42.500 Ų
Heavy Atom Count7
Formal Charge0
Complexity150.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Solution Calculators
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